CID 18422120

91493-43-5

Structural Information

Molecular Formula

C₁₂H₉NO₃

SMILES

C1=CC=C(C=C1)C2=CC(=CC(=O)N2)C(=O)O

InChI

InChI=1S/C12H9NO3/c14-11-7-9(12(15)16)6-10(13-11)8-4-2-1-3-5-8/h1-7H,(H,13,14)(H,15,16)

InChIKey

BWWHCHGMKVVIMX-UHFFFAOYSA-N

Compound name

2-oxo-6-phenyl-1H-pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 215.05824 Da
Monoisotopic Mass: 1.1
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]+	216.06552	145.1
[M+Na]+	238.04746	159.2
[M+NH4]+	233.09206	152.2
[M+K]+	254.02140	153.4
[M-H]-	214.05096	147.3
[M+Na-2H]-	236.03291	153.3
[M]+	215.05769	147.6
[M]-	215.05879	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe