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: 1174
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]+	179.05502	136.0
[M+Na]+	201.03696	143.0
[M+NH4]+	196.08156	140.3
[M+K]+	217.01090	141.3
[M-H]-	177.04046	131.4
[M+Na-2H]-	199.02241	136.0
[M]+	178.04719	134.9
[M]-	178.04829	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe