CID 10513376

95215-60-4

Structural Information

Molecular Formula
C11H15NO4
SMILES
CCOC(=O)CCN1C=CC(=O)C(=C1C)O
InChI
InChI=1S/C11H15NO4/c1-3-16-10(14)5-7-12-6-4-9(13)11(15)8(12)2/h4,6,15H,3,5,7H2,1-2H3
InChIKey
SIPVUGNHQRPDCV-UHFFFAOYSA-N
Compound name
ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

225.10011 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 146.9
[M+Na]+ 248.089328 156.0
[M-H]- 224.092834 148.5
[M+NH4]+ 243.133933 163.7
[M+K]+ 264.063268 154.1
[M+H-H2O]+ 208.097370 140.4
[M+HCOO]- 270.098311 168.3
[M+CH3COO]- 284.113961 187.7
[M+Na-2H]- 246.074776 150.4
[M]+ 225.09956142 151.0
[M]- 225.10065858 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe