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

4548
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

literature stripe

Patent stripe

patents stripe