CID 72925

6-hydroxynicotinamide

Structural Information

Molecular Formula

C₆H₆N₂O₂

SMILES

C1=CC(=O)NC=C1C(=O)N

InChI

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

InChIKey

NGPNYDVHEUXWIA-UHFFFAOYSA-N

Compound name

6-oxo-1H-pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 351
Patents: 138.04292 Da
Monoisotopic Mass: -1.2
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	124.1
[M+Na]+	161.032138	132.7
[M-H]-	137.035644	125.2
[M+NH4]+	156.076743	143.2
[M+K]+	177.006078	130.4
[M+H-H2O]+	121.040180	118.1
[M+HCOO]-	183.041121	147.1
[M+CH3COO]-	197.056771	170.8
[M+Na-2H]-	159.017586	130.7
[M]+	138.04237142	121.0
[M]-	138.04346858	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe