CID 12347879

2,2-diethyl 1,3-dioxolane-2,2-dicarboxylate

Structural Information

Molecular Formula
C9H14O6
SMILES
CCOC(=O)C1(OCCO1)C(=O)OCC
InChI
InChI=1S/C9H14O6/c1-3-12-7(10)9(8(11)13-4-2)14-5-6-15-9/h3-6H2,1-2H3
InChIKey
AEHZBDXKQXYMLP-UHFFFAOYSA-N
Compound name
diethyl 1,3-dioxolane-2,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

218.07904 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.086316 144.5
[M+Na]+ 241.068258 150.5
[M-H]- 217.071764 148.9
[M+NH4]+ 236.112863 163.6
[M+K]+ 257.042198 154.0
[M+H-H2O]+ 201.076300 140.3
[M+HCOO]- 263.077241 164.7
[M+CH3COO]- 277.092891 182.9
[M+Na-2H]- 239.053706 149.8
[M]+ 218.07849142 149.7
[M]- 218.07958858 149.7
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