CID 54716503

2-(4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanoic acid

Structural Information

Molecular Formula
C9H11NO4
SMILES
CC1=CC(=CC(=O)N1C(C)C(=O)O)O
InChI
InChI=1S/C9H11NO4/c1-5-3-7(11)4-8(12)10(5)6(2)9(13)14/h3-4,6,11H,1-2H3,(H,13,14)
InChIKey
FKYJREKCAWKWJX-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-2-methyl-6-oxopyridin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

197.0688 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 140.3
[M+Na]+ 220.05802 151.5
[M+NH4]+ 215.10262 145.8
[M+K]+ 236.03196 148.5
[M-H]- 196.06152 139.0
[M+Na-2H]- 218.04347 143.9
[M]+ 197.06825 141.1
[M]- 197.06935 141.1
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