CID 373713

Nsc650614

Structural Information

Molecular Formula
C9H14O7S
SMILES
CCOC(=O)C1(COS(=O)OC1)C(=O)OCC
InChI
InChI=1S/C9H14O7S/c1-3-13-7(10)9(8(11)14-4-2)5-15-17(12)16-6-9/h3-6H2,1-2H3
InChIKey
NPDBYXRRUQDGPW-UHFFFAOYSA-N
Compound name
diethyl 2-oxo-1,3,2-dioxathiane-5,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.04602 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.05330 152.3
[M+Na]+ 289.03524 158.0
[M-H]- 265.03874 156.7
[M+NH4]+ 284.07984 168.2
[M+K]+ 305.00918 161.0
[M+H-H2O]+ 249.04328 147.3
[M+HCOO]- 311.04422 165.7
[M+CH3COO]- 325.05987 189.9
[M+Na-2H]- 287.02069 156.0
[M]+ 266.04547 158.7
[M]- 266.04657 158.7
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

No patent data available for this compound.