CID 10513376

Cp55

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.10739	148.9
[M+Na]+	248.08933	160.6
[M+NH4]+	243.13393	154.6
[M+K]+	264.06327	156.0
[M-H]-	224.09283	148.2
[M+Na-2H]-	246.07478	152.9
[M]+	225.09956	150.1
[M]-	225.10066	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe