CID 72109106

5-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C13H11NO4
SMILES
CC1=C(C=C(C(=O)N1)C(=O)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C13H11NO4/c1-7-10(8-2-4-9(15)5-3-8)6-11(13(17)18)12(16)14-7/h2-6,15H,1H3,(H,14,16)(H,17,18)
InChIKey
WLCNIFNPFQXFKN-UHFFFAOYSA-N
Compound name
5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0688 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07608 153.1
[M+Na]+ 268.05802 166.7
[M+NH4]+ 263.10262 159.0
[M+K]+ 284.03196 161.9
[M-H]- 244.06152 154.4
[M+Na-2H]- 266.04347 159.4
[M]+ 245.06825 155.2
[M]- 245.06935 155.2
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.