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

9
Patents

227.05824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.065516 147.2
[M+Na]+ 250.047458 155.8
[M-H]- 226.050964 151.8
[M+NH4]+ 245.092063 163.0
[M+K]+ 266.021398 152.1
[M+H-H2O]+ 210.055500 139.5
[M+HCOO]- 272.056441 169.2
[M+CH3COO]- 286.072091 186.8
[M+Na-2H]- 248.032906 152.9
[M]+ 227.05769142 147.6
[M]- 227.05878858 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