CID 45123502

N,3-dihydroxyisonicotinamide

Structural Information

Molecular Formula

C₆H₆N₂O₃

SMILES

C1=CN=CC(=C1C(=O)NO)O

InChI

InChI=1S/C6H6N2O3/c9-5-3-7-2-1-4(5)6(10)8-11/h1-3,9,11H,(H,8,10)

InChIKey

REVYHWBRULDYDD-UHFFFAOYSA-N

Compound name

N,3-dihydroxypyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 154.03784 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]+	155.04512	128.0
[M+Na]+	177.02706	135.9
[M-H]-	153.03056	128.2
[M+NH4]+	172.07166	146.1
[M+K]+	193.00100	134.1
[M+H-H2O]+	137.03510	121.9
[M+HCOO]-	199.03604	150.2
[M+CH3COO]-	213.05169	171.3
[M+Na-2H]-	175.01251	135.2
[M]+	154.03729	126.1
[M]-	154.03839	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe