CID 2771812

13426-16-9

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)NC2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C12H10N2O2/c15-12(16)9-6-7-11(13-8-9)14-10-4-2-1-3-5-10/h1-8H,(H,13,14)(H,15,16)

InChIKey

OMGPNSFUSJHLFT-UHFFFAOYSA-N

Compound name

6-anilinopyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 48
Patents: 214.07423 Da
Monoisotopic Mass: 2.3
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]+	215.08151	144.8
[M+Na]+	237.06345	151.8
[M-H]-	213.06695	149.0
[M+NH4]+	232.10805	160.6
[M+K]+	253.03739	148.2
[M+H-H2O]+	197.07149	136.8
[M+HCOO]-	259.07243	167.7
[M+CH3COO]-	273.08808	186.3
[M+Na-2H]-	235.04890	152.1
[M]+	214.07368	143.0
[M]-	214.07478	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe