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

3
Patents

218.07904 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08632 144.5
[M+Na]+ 241.06826 150.5
[M-H]- 217.07176 148.9
[M+NH4]+ 236.11286 163.6
[M+K]+ 257.04220 154.0
[M+H-H2O]+ 201.07630 140.3
[M+HCOO]- 263.07724 164.7
[M+CH3COO]- 277.09289 182.9
[M+Na-2H]- 239.05371 149.8
[M]+ 218.07849 149.7
[M]- 218.07959 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