CID 69411

Diethylene glycol diacetate

Structural Information

Molecular Formula

C₈H₁₄O₅

SMILES

CC(=O)OCCOCCOC(=O)C

InChI

InChI=1S/C8H14O5/c1-7(9)12-5-3-11-4-6-13-8(2)10/h3-6H2,1-2H3

InChIKey

UBPGILLNMDGSDS-UHFFFAOYSA-N

Compound name

2-(2-acetyloxyethoxy)ethyl acetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4520
Patents: 190.08412 Da
Monoisotopic Mass: -0.1
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]+	191.09140	140.8
[M+Na]+	213.07334	149.0
[M+NH4]+	208.11794	146.2
[M+K]+	229.04728	145.7
[M-H]-	189.07684	137.8
[M+Na-2H]-	211.05879	142.1
[M]+	190.08357	140.6
[M]-	190.08467	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe