CID 5152592

3-(pyridin-2-yl)benzoic acid

Structural Information

Molecular Formula

C₁₂H₉NO₂

SMILES

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

InChI

InChI=1S/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15)

InChIKey

IRXFQXMHMRTLIR-UHFFFAOYSA-N

Compound name

3-pyridin-2-ylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 142
Patents: 199.06332 Da
Monoisotopic Mass: 2.2
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]+	200.07060	142.1
[M+Na]+	222.05254	156.9
[M+NH4]+	217.09714	150.4
[M+K]+	238.02648	150.1
[M-H]-	198.05604	145.5
[M+Na-2H]-	220.03799	151.8
[M]+	199.06277	145.2
[M]-	199.06387	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe