CID 388551

Nsc683548

Structural Information

Molecular Formula
C6H8O8S
SMILES
COC(=O)C1C(OS(=O)(=O)O1)C(=O)OC
InChI
InChI=1S/C6H8O8S/c1-11-5(7)3-4(6(8)12-2)14-15(9,10)13-3/h3-4H,1-2H3
InChIKey
YZPCWPMIVKWDOZ-UHFFFAOYSA-N
Compound name
dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

239.99399 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00127 139.9
[M+Na]+ 262.98321 148.9
[M-H]- 238.98671 145.6
[M+NH4]+ 258.02781 159.0
[M+K]+ 278.95715 152.2
[M+H-H2O]+ 222.99125 137.0
[M+HCOO]- 284.99219 156.8
[M+CH3COO]- 299.00784 183.4
[M+Na-2H]- 260.96866 143.8
[M]+ 239.99344 148.7
[M]- 239.99454 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe