Record Information |
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Version | 1.0 |
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Created at | 2020-04-27 16:30:40 UTC |
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Updated at | 2021-01-04 20:37:45 UTC |
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CannabisDB ID | CDB005539 |
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Secondary Accession Numbers | Not Available |
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Cannabis Compound Identification |
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Common Name | 8-Ethylquinoline |
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Description | 8-Ethylquinoline 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 pyridine ring to form benzo[b]azabenzene. 8-Ethylquinoline is an ethylated derivative of quinoline. It is also one of several structural isomers of ethylquinoline which is substituted by an ethyl group at different positions. Ethylquinolines are found in marijuana smoke ( Ref:DOI > Ref:DOI ). 8-Ethylquinoline is formed during the combustion of cannabis ( Ref:DOI > Ref:DOI ). |
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Structure | |
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Synonyms | Not Available |
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Chemical Formula | C11H11N |
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Average Molecular Weight | 157.22 |
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Monoisotopic Molecular Weight | 157.0891 |
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IUPAC Name | 8-ethylquinoline |
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Traditional Name | 8-ethylquinoline |
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CAS Registry Number | 19655-56-2 |
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SMILES | CCC1=C2N=CC=CC2=CC=C1 |
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InChI Identifier | InChI=1S/C11H11N/c1-2-9-5-3-6-10-7-4-8-12-11(9)10/h3-8H,2H2,1H3 |
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InChI Key | WSNATRDCOFYLCB-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 | Not Available |
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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 | Not Available |
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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 | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available | 2020-06-30 | 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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| Not Available |
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External Links |
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HMDB ID | Not Available |
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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 | 79555 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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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 | 88185 |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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References |
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General References | Not Available |
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