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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06552 147.2
[M+Na]+ 250.04746 155.8
[M-H]- 226.05096 151.8
[M+NH4]+ 245.09206 163.0
[M+K]+ 266.02140 152.1
[M+H-H2O]+ 210.05550 139.5
[M+HCOO]- 272.05644 169.2
[M+CH3COO]- 286.07209 186.8
[M+Na-2H]- 248.03291 152.9
[M]+ 227.05769 147.6
[M]- 227.05879 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe