| SpectraBase Spectrum ID |
DoEiP5MFn2u |
| Name |
Cotinine |
| CAS Registry Number |
486-56-6 |
| Classification |
Nicotine metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
176.094963013 u |
| Formula |
C10H12N2O |
| InChI |
InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3 |
| InChIKey |
UIKROCXWUNQSPJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
176.219 g/mol |
| Nominal Mass |
176 u |
| Quality |
989 |
| Retention Index |
1678 |
| SMILES |
C1(C2=CC=CN=C2)N(C(CC1)=O)C |
| SPLASH |
splash10-0002-9400000000-8e9e3268574a92e887d1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Methyl-5-pyridin-3-yl-pyrrolidin-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000807 |
