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
3
Annotation Hits

1
References

165
Patents

215.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.065516 143.0
[M+Na]+ 238.047458 152.0
[M-H]- 214.050964 147.8
[M+NH4]+ 233.092063 159.4
[M+K]+ 254.021398 148.5
[M+H-H2O]+ 198.055500 135.5
[M+HCOO]- 260.056441 165.3
[M+CH3COO]- 274.072091 183.8
[M+Na-2H]- 236.032906 149.2
[M]+ 215.05769142 143.1
[M]- 215.05878858 143.1
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