CID 12184

Ethyl glycolate

Structural Information

Molecular Formula

C₄H₈O₃

SMILES

CCOC(=O)CO

InChI

InChI=1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3

InChIKey

ZANNOFHADGWOLI-UHFFFAOYSA-N

Compound name

ethyl 2-hydroxyacetate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 19
References: 29337
Patents: 104.04734 Da
Monoisotopic Mass: -0.2
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]+	105.054616	118.1
[M+Na]+	127.036558	125.9
[M-H]-	103.040064	117.4
[M+NH4]+	122.081163	140.6
[M+K]+	143.010498	126.5
[M+H-H2O]+	87.044600	114.1
[M+HCOO]-	149.045541	141.0
[M+CH3COO]-	163.061191	163.6
[M+Na-2H]-	125.022006	124.5
[M]+	104.04679142	119.7
[M]-	104.04788858	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe