CID 12043122

4-hydroxynicotinamide

Structural Information

Molecular Formula

C₆H₆N₂O₂

SMILES

C1=CNC=C(C1=O)C(=O)N

InChI

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

InChIKey

UDTVJEZIOILIRG-UHFFFAOYSA-N

Compound name

4-oxo-1H-pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 120
Patents: 138.04292 Da
Monoisotopic Mass: -0.2
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]+	139.05020	124.9
[M+Na]+	161.03214	136.2
[M+NH4]+	156.07674	131.9
[M+K]+	177.00608	131.9
[M-H]-	137.03564	125.4
[M+Na-2H]-	159.01759	130.8
[M]+	138.04237	126.2
[M]-	138.04347	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe