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Cotinine
SpectraBase Compound ID BjO3PaODPcS
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
Mol Weight 176.22 g/mol
Molecular Formula C10H12N2O
Exact Mass 176.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSgH3G7IIo9
Name (-)-Cotinine
Catalog Number 40199
Lot Number 695251
CAS Registry Number 486-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 176.219 g/mol
Quality 1000
SMILES C=1C(=CC=CN1)C1N(C(CC1)=O)C
SPLASH splash10-0002-9500000000-b2d9f9169b0f1bee4e58
Source of Spectrum CAY-2024-2368-0
Synonyms (R)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one 1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
Wiley ID 1890577