CID 522946

Propyl glycolate

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CCCOC(=O)CO

InChI

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

InChIKey

NORCOOJYTVHQCR-UHFFFAOYSA-N

Compound name

propyl 2-hydroxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1557
Patents: 118.062996 Da
Monoisotopic Mass: 0.4
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	122.9
[M+Na]+	141.05221	132.4
[M+NH4]+	136.09682	130.0
[M+K]+	157.02615	128.3
[M-H]-	117.05572	121.0
[M+Na-2H]-	139.03766	125.8
[M]+	118.06245	123.3
[M]-	118.06354	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe