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]+ 246.07608 150.9
[M+Na]+ 268.05802 159.8
[M-H]- 244.06152 154.5
[M+NH4]+ 263.10262 165.5
[M+K]+ 284.03196 155.9
[M+H-H2O]+ 228.06606 143.4
[M+HCOO]- 290.06700 171.5
[M+CH3COO]- 304.08265 187.9
[M+Na-2H]- 266.04347 155.4
[M]+ 245.06825 151.3
[M]- 245.06935 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.