CID 83650239

6-hydroxy-4-(4-methoxyphenyl)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C13H11NO4
SMILES
COC1=CC=C(C=C1)C2=CC(=O)NC(=C2)C(=O)O
InChI
InChI=1S/C13H11NO4/c1-18-10-4-2-8(3-5-10)9-6-11(13(16)17)14-12(15)7-9/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKey
OCOXKVNXPHGWAE-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-6-oxo-1H-pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0688 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.076076 150.9
[M+Na]+ 268.058018 159.8
[M-H]- 244.061524 154.5
[M+NH4]+ 263.102623 165.5
[M+K]+ 284.031958 155.9
[M+H-H2O]+ 228.066060 143.4
[M+HCOO]- 290.067001 171.5
[M+CH3COO]- 304.082651 187.9
[M+Na-2H]- 266.043466 155.4
[M]+ 245.06825142 151.3
[M]- 245.06934858 151.3
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.