Record Information |
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Version | 1.0 |
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Created at | 2020-04-27 16:28:47 UTC |
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Updated at | 2021-01-22 17:44:17 UTC |
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CannabisDB ID | CDB005520 |
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Secondary Accession Numbers | Not Available |
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Cannabis Compound Identification |
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Common Name | 8-Methylquinoline |
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Description | 8-Methylquinoline, also known as fema 2744 or p-tolliquinoline, belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. 8-Methylquinoline is a methylated derivative of quinoline and is one of several structural isomers of methylquinoline which can be substituted by a methyl group at different positions. 8-Methylquinoline occurs naturally in some plants and foods and has been detected, but not quantified in tea. 8-Methylquinoline is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke (Ref: Ref:DOI ). |
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Structure | |
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Synonyms | Not Available |
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Chemical Formula | C10H9N |
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Average Molecular Weight | 143.19 |
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Monoisotopic Molecular Weight | 143.0735 |
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IUPAC Name | 8-methylquinoline |
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Traditional Name | 8-methylquinoline |
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CAS Registry Number | 611-32-5 |
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SMILES | CC1=C2N=CC=CC2=CC=C1 |
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InChI Identifier | InChI=1S/C10H9N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2-7H,1H3 |
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InChI Key | JRLTTZUODKEYDH-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Quinolines and derivatives |
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Sub Class | Not Available |
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Direct Parent | Quinolines and derivatives |
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Alternative Parents | |
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Substituents | - Quinoline
- Benzenoid
- Pyridine
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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Ontology |
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Not Available | Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | logP | Not Available | Not Available |
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Predicted Properties | [] |
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Spectra |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | 8-Methylquinoline, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00kf-0900000000-4bf4e4ddec0232c06c8b | Spectrum | Predicted GC-MS | 8-Methylquinoline, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0900000000-a31662b8516ed5cb0556 | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0900000000-70e775df3f6c310926cf | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00kf-4900000000-473da5189174fda750e2 | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0900000000-3aea2b5ea2d94baf1fcf | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0900000000-3aea2b5ea2d94baf1fcf | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-1900000000-ef90ba3e4f48d3e6c27b | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0900000000-e5d0ebf20455b6c0a953 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-1900000000-b98cb64e1ea778a6f34b | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9200000000-d67568288fb5f5e8f2c1 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0900000000-3139ad0a41b8c84bdbc8 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0900000000-3139ad0a41b8c84bdbc8 | 2021-10-12 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-1900000000-adde5b187ccf05d409ae | 2021-10-12 | View Spectrum |
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NMR | Not Available |
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Pathways |
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Pathways | Not Available |
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Protein Targets |
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Enzymes | Not Available |
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Transporters | Not Available |
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Metal Bindings | Not Available |
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Receptors | Not Available |
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Transcriptional Factors | Not Available |
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Concentrations Data |
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External Links |
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HMDB ID | HMDB0247450 |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 11416 |
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KEGG Compound ID | Not Available |
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BioCyc ID | CPD-15137 |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 11910 |
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PDB ID | Not Available |
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ChEBI ID | 48984 |
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References |
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General References | Not Available |
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