CID 10313273

3-carbamoylpicolinic acid

Structural Information

Molecular Formula

C₇H₆N₂O₃

SMILES

C1=CC(=C(N=C1)C(=O)O)C(=O)N

InChI

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

InChIKey

CGDAWEVRGAIHJH-UHFFFAOYSA-N

Compound name

3-carbamoylpyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 56
Patents: 166.03784 Da
Monoisotopic Mass: 0.5
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]+	167.045116	131.3
[M+Na]+	189.027058	139.1
[M-H]-	165.030564	132.3
[M+NH4]+	184.071663	149.0
[M+K]+	205.000998	137.6
[M+H-H2O]+	149.035100	124.9
[M+HCOO]-	211.036041	153.2
[M+CH3COO]-	225.051691	176.9
[M+Na-2H]-	187.012506	136.2
[M]+	166.03729142	129.3
[M]-	166.03838858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe