CID 1018

Picolinic acid

Structural Information

Molecular Formula

SMILES

C1=CC=NC(=C1)C(=O)O

InChI

InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)

InChIKey

SIOXPEMLGUPBBT-UHFFFAOYSA-N

Compound name

pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1052
References: 105181
Patents: 123.03203 Da
Monoisotopic Mass: 0.8
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]+	124.03931	121.5
[M+Na]+	146.02125	134.1
[M+NH4]+	141.06585	129.5
[M+K]+	161.99519	129.0
[M-H]-	122.02475	122.2
[M+Na-2H]-	144.00670	128.6
[M]+	123.03148	123.3
[M]-	123.03258	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe