CID 12870589

Ethyl 3-hydroxypropanoate

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CCOC(=O)CCO

InChI

InChI=1S/C5H10O3/c1-2-8-5(7)3-4-6/h6H,2-4H2,1H3

InChIKey

UKDLORMZNPQILV-UHFFFAOYSA-N

Compound name

ethyl 3-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 74
References: 12766
Patents: 118.062996 Da
Monoisotopic Mass: -0.3
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]+	119.07027	122.8
[M+Na]+	141.05221	130.1
[M-H]-	117.05572	122.0
[M+NH4]+	136.09682	144.8
[M+K]+	157.02615	130.6
[M+H-H2O]+	101.06026	118.6
[M+HCOO]-	163.06120	145.4
[M+CH3COO]-	177.07685	166.6
[M+Na-2H]-	139.03766	128.7
[M]+	118.06245	124.7
[M]-	118.06354	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe