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-oxopyridin-1-yl)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]+ 212.09174 143.5
[M+Na]+ 234.07368 151.9
[M-H]- 210.07718 143.7
[M+NH4]+ 229.11828 159.8
[M+K]+ 250.04762 149.8
[M+H-H2O]+ 194.08172 137.9
[M+HCOO]- 256.08266 162.0
[M+CH3COO]- 270.09831 182.0
[M+Na-2H]- 232.05913 148.5
[M]+ 211.08391 144.5
[M]- 211.08501 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.