CID 3666356

566198-31-0

Structural Information

Molecular Formula

C₁₃H₉NO₃

SMILES

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

InChI

InChI=1S/C13H9NO3/c15-8-9-4-6-10(7-5-9)11-2-1-3-12(14-11)13(16)17/h1-8H,(H,16,17)

InChIKey

FKHVFVCIDNIPPD-UHFFFAOYSA-N

Compound name

6-(4-formylphenyl)pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 227.05824 Da
Monoisotopic Mass: 1.8
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]+	228.06552	148.7
[M+Na]+	250.04746	163.2
[M+NH4]+	245.09206	155.9
[M+K]+	266.02140	156.8
[M-H]-	226.05096	151.4
[M+Na-2H]-	248.03291	157.3
[M]+	227.05769	151.4
[M]-	227.05879	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe