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-oxopyridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

225.10011 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10739 146.9
[M+Na]+ 248.08933 156.0
[M-H]- 224.09283 148.5
[M+NH4]+ 243.13393 163.7
[M+K]+ 264.06327 154.1
[M+H-H2O]+ 208.09737 140.4
[M+HCOO]- 270.09831 168.3
[M+CH3COO]- 284.11396 187.7
[M+Na-2H]- 246.07478 150.4
[M]+ 225.09956 151.0
[M]- 225.10066 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