SpectraBase Spectrum ID |
DjqhJzc62HA |
Name |
3'-Hydroxycotinine acetate |
Classification |
Chemical |
Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
234.100442316 u |
Formula |
C12H14N2O3 |
InChI |
InChI=1S/C12H14N2O3/c1-8(15)17-11-6-10(14(2)12(11)16)9-4-3-5-13-7-9/h3-5,7,10-11H,6H2,1-2H3 |
InChIKey |
ZCLBVMFGRVMSHK-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
234.255 g/mol |
Nominal Mass |
234 u |
Quality |
995 |
Retention Index |
1852 |
SMILES |
C1(N(C(C(C1)OC(=O)C)=O)C)C1=CC=CN=C1 |
SPLASH |
splash10-05fr-4900000000-37fbe67e129403c6245d |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl acetate |
Technique |
GC/MS |
Wiley ID |
DD2024_033111 |