CID 44151646

Ethyl acetoxyethoxyacetate

Structural Information

Molecular Formula
C8H14O5
SMILES
CCOC(=O)COCCOC(=O)C
InChI
InChI=1S/C8H14O5/c1-3-12-8(10)6-11-4-5-13-7(2)9/h3-6H2,1-2H3
InChIKey
ZDJAYWZPAYKSCT-UHFFFAOYSA-N
Compound name
ethyl 2-(2-acetyloxyethoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

190.08412 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.091396 139.9
[M+Na]+ 213.073338 146.4
[M-H]- 189.076844 140.0
[M+NH4]+ 208.117943 159.5
[M+K]+ 229.047278 147.9
[M+H-H2O]+ 173.081380 134.6
[M+HCOO]- 235.082321 162.7
[M+CH3COO]- 249.097971 181.7
[M+Na-2H]- 211.058786 143.6
[M]+ 190.08357142 146.4
[M]- 190.08466858 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

patents stripe