CID 104319

Ethylene bis(hydroxyacetate)

Structural Information

Molecular Formula

C₆H₁₀O₆

SMILES

C(COC(=O)CO)OC(=O)CO

InChI

InChI=1S/C6H10O6/c7-3-5(9)11-1-2-12-6(10)4-8/h7-8H,1-4H2

InChIKey

KCZIRQGMWBGPRP-UHFFFAOYSA-N

Compound name

2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1430
Patents: 178.04774 Da
Monoisotopic Mass: -1.3
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]+	179.055016	134.5
[M+Na]+	201.036958	140.8
[M-H]-	177.040464	131.9
[M+NH4]+	196.081563	152.9
[M+K]+	217.010898	141.4
[M+H-H2O]+	161.045000	129.6
[M+HCOO]-	223.045941	155.1
[M+CH3COO]-	237.061591	172.7
[M+Na-2H]-	199.022406	138.1
[M]+	178.04719142	137.8
[M]-	178.04828858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe