CID 18422120

2-hydroxy-6-phenylpyridine-4-carboxylic acid

Structural Information

Molecular Formula
C12H9NO3
SMILES
C1=CC=C(C=C1)C2=CC(=CC(=O)N2)C(=O)O
InChI
InChI=1S/C12H9NO3/c14-11-7-9(12(15)16)6-10(13-11)8-4-2-1-3-5-8/h1-7H,(H,13,14)(H,15,16)
InChIKey
BWWHCHGMKVVIMX-UHFFFAOYSA-N
Compound name
2-oxo-6-phenyl-1H-pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

215.05824 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06552 143.7
[M+Na]+ 238.04746 152.3
[M-H]- 214.05096 147.0
[M+NH4]+ 233.09206 159.3
[M+K]+ 254.02140 147.9
[M+H-H2O]+ 198.05550 136.4
[M+HCOO]- 260.05644 164.4
[M+CH3COO]- 274.07209 181.4
[M+Na-2H]- 236.03291 149.3
[M]+ 215.05769 141.9
[M]- 215.05879 141.9
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