CID 21814889

3-hydroxyisonicotinamide

Structural Information

Molecular Formula

C₆H₆N₂O₂

SMILES

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

InChI

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

InChIKey

JDPIVIMBMXAXMJ-UHFFFAOYSA-N

Compound name

3-hydroxypyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 138.04292 Da
Monoisotopic Mass: -0.1
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	133.3
[M-H]-	137.03564	126.0
[M+NH4]+	156.07674	144.1
[M+K]+	177.00608	131.5
[M+H-H2O]+	121.04018	118.8
[M+HCOO]-	183.04112	147.7
[M+CH3COO]-	197.05677	171.6
[M+Na-2H]-	159.01759	131.6
[M]+	138.04237	122.5
[M]-	138.04347	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe