CID 354313

5-hydroxynicotinamide

Structural Information

Molecular Formula

C₆H₆N₂O₂

SMILES

C1=C(C=NC=C1O)C(=O)N

InChI

InChI=1S/C6H6N2O2/c7-6(10)4-1-5(9)3-8-2-4/h1-3,9H,(H2,7,10)

InChIKey

UIJCDEKRKCCYIF-UHFFFAOYSA-N

Compound name

5-hydroxypyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 86
Patents: 138.04292 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	139.050196	124.9
[M+Na]+	161.032138	133.3
[M-H]-	137.035644	126.0
[M+NH4]+	156.076743	144.1
[M+K]+	177.006078	131.5
[M+H-H2O]+	121.040180	118.8
[M+HCOO]-	183.041121	147.7
[M+CH3COO]-	197.056771	171.6
[M+Na-2H]-	159.017586	131.6
[M]+	138.04237142	122.5
[M]-	138.04346858	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe