CID 474293

(2,2-dimethyl-1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)methanol

Structural Information

Molecular Formula
C6H12O5S2
SMILES
CC1(S(=O)(=O)CC(S1(=O)=O)CO)C
InChI
InChI=1S/C6H12O5S2/c1-6(2)12(8,9)4-5(3-7)13(6,10)11/h5,7H,3-4H2,1-2H3
InChIKey
LIJDIFMXKDCHDG-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,1,3,3-tetraoxo-1,3-dithiolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.01262 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.01990 135.0
[M+Na]+ 251.00184 145.9
[M-H]- 227.00534 137.6
[M+NH4]+ 246.04644 160.5
[M+K]+ 266.97578 143.0
[M+H-H2O]+ 211.00988 134.6
[M+HCOO]- 273.01082 147.1
[M+CH3COO]- 287.02647 179.4
[M+Na-2H]- 248.98729 139.8
[M]+ 228.01207 140.3
[M]- 228.01317 140.3
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.