CID 64472704

1338977-53-9

Structural Information

Molecular Formula
C10H13NO4
SMILES
CC1=CC(=O)N(C=C1)CC(C)(C(=O)O)O
InChI
InChI=1S/C10H13NO4/c1-7-3-4-11(8(12)5-7)6-10(2,15)9(13)14/h3-5,15H,6H2,1-2H3,(H,13,14)
InChIKey
PNSWVYDJOLOGSG-UHFFFAOYSA-N
Compound name
2-hydroxy-2-methyl-3-(4-methyl-2-oxo-1-pyridinyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.08446 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.091736 143.5
[M+Na]+ 234.073678 151.9
[M-H]- 210.077184 143.7
[M+NH4]+ 229.118283 159.8
[M+K]+ 250.047618 149.8
[M+H-H2O]+ 194.081720 137.9
[M+HCOO]- 256.082661 162.0
[M+CH3COO]- 270.098311 182.0
[M+Na-2H]- 232.059126 148.5
[M]+ 211.08391142 144.5
[M]- 211.08500858 144.5
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.