CID 354400

Nsc606196

Structural Information

Molecular Formula
C5H10O6S2
SMILES
CC1(S(=O)(=O)OCCOS1(=O)=O)C
InChI
InChI=1S/C5H10O6S2/c1-5(2)12(6,7)10-3-4-11-13(5,8)9/h3-4H2,1-2H3
InChIKey
DTILCZRMRILFLH-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

229.99188 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.99916 132.8
[M+Na]+ 252.98110 138.8
[M-H]- 228.98460 137.9
[M+NH4]+ 248.02570 151.8
[M+K]+ 268.95504 143.5
[M+H-H2O]+ 212.98914 129.7
[M+HCOO]- 274.99008 142.5
[M+CH3COO]- 289.00573 182.5
[M+Na-2H]- 250.96655 140.2
[M]+ 229.99133 134.5
[M]- 229.99243 134.5
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