CID 726941

3-benzoylpyridine-2-carboxylic acid

Structural Information

Molecular Formula
C13H9NO3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(N=CC=C2)C(=O)O
InChI
InChI=1S/C13H9NO3/c15-12(9-5-2-1-3-6-9)10-7-4-8-14-11(10)13(16)17/h1-8H,(H,16,17)
InChIKey
YERHKEWRHQIXFY-UHFFFAOYSA-N
Compound name
3-benzoylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

274
Patents

227.05824 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06552 147.4
[M+Na]+ 250.04746 154.8
[M-H]- 226.05096 151.7
[M+NH4]+ 245.09206 162.8
[M+K]+ 266.02140 151.6
[M+H-H2O]+ 210.05550 139.6
[M+HCOO]- 272.05644 168.4
[M+CH3COO]- 286.07209 186.5
[M+Na-2H]- 248.03291 152.6
[M]+ 227.05769 146.8
[M]- 227.05879 146.8
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

No patent data available for this compound.