CID 8121

Ethylene glycol diacetate

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

CC(=O)OCCOC(=O)C

InChI

InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3

InChIKey

JTXMVXSTHSMVQF-UHFFFAOYSA-N

Compound name

2-acetyloxyethyl acetate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 37234
Patents: 146.0579 Da
Monoisotopic Mass: 0.0
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]+	147.06518	129.3
[M+Na]+	169.04712	138.4
[M+NH4]+	164.09172	135.6
[M+K]+	185.02106	135.0
[M-H]-	145.05062	126.9
[M+Na-2H]-	167.03257	131.6
[M]+	146.05735	129.5
[M]-	146.05845	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe