SpectraBase Spectrum ID |
2pPqvlvXIzA |
Name |
Cotinine |
CAS Registry Number |
486-56-6 |
Classification |
Nicotine metabolite |
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 |
1000 |
Retention Index |
1678 |
SMILES |
C1(C2=CC=CN=C2)N(C(CC1)=O)C |
SPLASH |
splash10-0002-9600000000-60a4f0a90d3fb36f1a6a |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-Methyl-5-pyridin-3-yl-pyrrolidin-2-one |
Technique |
GC/MS |
Wiley ID |
DD2024_034372 |