CID 11988812

77837-08-2

Structural Information

Molecular Formula
C12H9NO3
SMILES
C1=CC=C(C=C1)N2C=C(C=CC2=O)C(=O)O
InChI
InChI=1S/C12H9NO3/c14-11-7-6-9(12(15)16)8-13(11)10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKey
PETUTZMMIOWORO-UHFFFAOYSA-N
Compound name
6-oxo-1-phenylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

215
Patents

215.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06552 144.5
[M+Na]+ 238.04746 159.1
[M+NH4]+ 233.09206 151.9
[M+K]+ 254.02140 153.0
[M-H]- 214.05096 147.2
[M+Na-2H]- 236.03291 153.3
[M]+ 215.05769 147.3
[M]- 215.05879 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe