CID 249144

Nsc67129

Structural Information

Molecular Formula
C6H12O9S3
SMILES
CS(=O)(=O)OCC1C(OS(=O)O1)COS(=O)(=O)C
InChI
InChI=1S/C6H12O9S3/c1-17(8,9)12-3-5-6(15-16(7)14-5)4-13-18(2,10)11/h5-6H,3-4H2,1-2H3
InChIKey
NUIVNAIWDLKFPS-UHFFFAOYSA-N
Compound name
[5-(methylsulfonyloxymethyl)-2-oxo-1,3,2-dioxathiolan-4-yl]methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

323.96436 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.97164 166.8
[M+Na]+ 346.95358 174.1
[M-H]- 322.95708 170.4
[M+NH4]+ 341.99818 179.7
[M+K]+ 362.92752 173.0
[M+H-H2O]+ 306.96162 162.8
[M+HCOO]- 368.96256 172.3
[M+CH3COO]- 382.97821 196.0
[M+Na-2H]- 344.93903 171.0
[M]+ 323.96381 174.8
[M]- 323.96491 174.8
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.