CID 2762934

2309463-57-6

Structural Information

Molecular Formula

C₁₂H₉NO₂

SMILES

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

InChI

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

InChIKey

SCKFWWNHOUWPSF-UHFFFAOYSA-N

Compound name

3-phenylpyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 199.06332 Da
Monoisotopic Mass: 2.0
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	140.9
[M+Na]+	222.05254	148.9
[M-H]-	198.05604	145.3
[M+NH4]+	217.09714	157.7
[M+K]+	238.02648	145.3
[M+H-H2O]+	182.06058	133.4
[M+HCOO]-	244.06152	162.8
[M+CH3COO]-	258.07717	181.3
[M+Na-2H]-	220.03799	147.8
[M]+	199.06277	139.9
[M]-	199.06387	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe