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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 9trVIKI6nv9
Name 3-cotinine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002/ardp.19843170106
Molecular Weight 176.219 g/mol
SMILES C1(N(C(CC1)=O)C)c1cnccc1
SPLASH splash10-002b-9700000000-596fb68ade36095aec0a
Source of Spectrum APC-317-25-1b
Synonyms 1-Methyl-5-(pyridin-3-yl)pyrrolidin-2-one
Wiley ID 1788087