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

4351
Patents

190.08412 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09140 139.9
[M+Na]+ 213.07334 146.4
[M-H]- 189.07684 140.0
[M+NH4]+ 208.11794 159.5
[M+K]+ 229.04728 147.9
[M+H-H2O]+ 173.08138 134.6
[M+HCOO]- 235.08232 162.7
[M+CH3COO]- 249.09797 181.7
[M+Na-2H]- 211.05879 143.6
[M]+ 190.08357 146.4
[M]- 190.08467 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.