| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:45:15 UTC |
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| Updated at | 2021-01-04 18:49:08 UTC |
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| CannabisDB ID | CDB005683 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 3-Methyl-1,8-naphthyridine |
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| Description | 3-Methyl-1,8-naphthyridine also known as 3-Methyl-1,8-diazanaphthalene is a methylated derivative of 1,8-naphthyridine. It belongs to the class of organic compounds known as naphthyridines. Naphthyridines are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. 3-Methyl-1,8-naphthyridine is one of several structural isomers of Methyl-1,8-naphthyridine wherein the methyl group is substituted at different positions of the basic 1,8-naphthyridine structure. 3-Methyl-1,8-naphthyridine is a constituent of marijuana (cannabis) smoke and is formed during the combustion of cannabis ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C9H8N2 |
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| Average Molecular Weight | 144.18 |
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| Monoisotopic Molecular Weight | 144.0687 |
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| IUPAC Name | 3-methyl-1,8-naphthyridine |
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| Traditional Name | 3-methyl-1,8-naphthyridine |
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| CAS Registry Number | 14759-22-9 |
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| SMILES | CC1=CN=C2N=CC=CC2=C1 |
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| InChI Identifier | InChI=1S/C9H8N2/c1-7-5-8-3-2-4-10-9(8)11-6-7/h2-6H,1H3 |
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| InChI Key | QOMQVYYQBYOOMQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Classification | Not classified |
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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 | 511999 |
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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 | 588990 |
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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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