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 138.0
[M+Na]+ 220.05802 147.2
[M-H]- 196.06152 138.6
[M+NH4]+ 215.10262 155.1
[M+K]+ 236.03196 145.4
[M+H-H2O]+ 180.06606 132.4
[M+HCOO]- 242.06700 157.5
[M+CH3COO]- 256.08265 180.8
[M+Na-2H]- 218.04347 140.8
[M]+ 197.06825 139.0
[M]- 197.06935 139.0
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