CID 54713301

3-(4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanoic acid

Structural Information

Molecular Formula
C9H11NO4
SMILES
CC1=CC(=CC(=O)N1CCC(=O)O)O
InChI
InChI=1S/C9H11NO4/c1-6-4-7(11)5-8(12)10(6)3-2-9(13)14/h4-5,11H,2-3H2,1H3,(H,13,14)
InChIKey
QTULSHJBUBOZOY-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0688 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 138.4
[M+Na]+ 220.058018 147.8
[M-H]- 196.061524 138.8
[M+NH4]+ 215.102623 155.5
[M+K]+ 236.031958 145.4
[M+H-H2O]+ 180.066060 132.5
[M+HCOO]- 242.067001 158.9
[M+CH3COO]- 256.082651 179.9
[M+Na-2H]- 218.043466 142.3
[M]+ 197.06825142 140.0
[M]- 197.06934858 140.0
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

No patent data available for this compound.