CID 73836

3-aminopicolinic acid

Structural Information

Molecular Formula

C₆H₆N₂O₂

SMILES

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

InChI

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

InChIKey

BOOMHTFCWOJWFO-UHFFFAOYSA-N

Compound name

3-aminopyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 18
References: 1634
Patents: 138.04292 Da
Monoisotopic Mass: 0.6
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