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Desmethylcotinine
SpectraBase Compound ID ENliNrtFBrC
InChI InChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)
InChIKey FXFANIORDKRCCA-UHFFFAOYSA-N
Mol Weight 162.19 g/mol
Molecular Formula C9H10N2O
Exact Mass 162.079313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GU8GVn4U8KO
Name Norcotinine
Classification Metabolite of nornicotine
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 162.079312949 u
Formula C9H10N2O
InChI InChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)
InChIKey FXFANIORDKRCCA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 162.192 g/mol
Nominal Mass 162 u
Quality 994
Retention Index 1392
SMILES C1(NC(CC1)=O)C=1C=NC=CC1
SPLASH splash10-001i-9600000000-149f16602b8955e58166
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Desmethylcotinine 5-Pyridin-3-yl-pyrrolidin-2-one
Technique GC/MS
Wiley ID DD2024_009277