CID 19966498

2-carbamoylisonicotinic acid

Structural Information

Molecular Formula

C₇H₆N₂O₃

SMILES

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

InChI

InChI=1S/C7H6N2O3/c8-6(10)5-3-4(7(11)12)1-2-9-5/h1-3H,(H2,8,10)(H,11,12)

InChIKey

RIEKUXDEDZHANI-UHFFFAOYSA-N

Compound name

2-carbamoylpyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 166.03784 Da
Monoisotopic Mass: -0.4
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]+	167.04512	132.1
[M+Na]+	189.02706	142.4
[M+NH4]+	184.07166	138.2
[M+K]+	205.00100	139.3
[M-H]-	165.03056	131.8
[M+Na-2H]-	187.01251	136.9
[M]+	166.03729	133.0
[M]-	166.03839	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe