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Pyridinium, 1-(2-carboxyethyl)-4-cyano-3-hydroxy-2-methyl-, hydroxide, inner salt

View entire compound with spectra: 1 MS (GC)

Pyridinium, 1-(2-carboxyethyl)-4-cyano-3-hydroxy-2-methyl-, hydroxide, inner salt
SpectraBase Compound ID F1fJ2IhuqI2
InChI InChI=1S/C10H10N2O3/c1-7-10(15)8(6-11)2-4-12(7)5-3-9(13)14/h2,4H,3,5H2,1H3,(H-,13,14,15)
InChIKey VLLUCIRELRBPJI-UHFFFAOYSA-N
Mol Weight 206.2 g/mol
Molecular Formula C10H10N2O3
Exact Mass 206.069142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A43TnzDn2Ii
Name Pyridinium, 1-(2-carboxyethyl)-4-cyano-3-hydroxy-2-methyl-, hydroxide, inner salt
Alternate Name(s) 1-(3-Propionic acid)-2-methyl-4-cyanopyridinimum-3-olate 3-(4-cyano-3-hydroxy-2-methyl-1-pyridiniumyl)propanoate
CAS Registry Number 87032-86-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10N2O3
InChI InChI=1S/C10H10N2O3/c1-7-10(15)8(6-11)2-4-12(7)5-3-9(13)14/h2,4H,3,5H2,1H3,(H-,13,14,15)
InChIKey VLLUCIRELRBPJI-UHFFFAOYSA-N
Molecular Weight 206.201 g/mol
SMILES Oc1c([n+](CCC([O-])=O)ccc1C#N)C
SPLASH splash10-0a59-2900000000-647c86eca2154661e8d0
Source of Spectrum SB-37-131-0
Wiley ID 1204038