CID 21149814

Ethyl 2-acetyloxy-2-ethoxyacetate

Structural Information

Molecular Formula
C8H14O5
SMILES
CCOC(C(=O)OCC)OC(=O)C
InChI
InChI=1S/C8H14O5/c1-4-11-7(10)8(12-5-2)13-6(3)9/h8H,4-5H2,1-3H3
InChIKey
IIONVQYOSHFUAE-UHFFFAOYSA-N
Compound name
ethyl 2-acetyloxy-2-ethoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.08412 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.091396 139.9
[M+Na]+ 213.073338 146.3
[M-H]- 189.076844 140.1
[M+NH4]+ 208.117943 159.5
[M+K]+ 229.047278 148.2
[M+H-H2O]+ 173.081380 134.8
[M+HCOO]- 235.082321 161.8
[M+CH3COO]- 249.097971 182.6
[M+Na-2H]- 211.058786 142.4
[M]+ 190.08357142 145.8
[M]- 190.08466858 145.8
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.