CID 99795

3-methylsulfonyloxybutyl methanesulfonate

Structural Information

Molecular Formula
C6H14O6S2
SMILES
CC(CCOS(=O)(=O)C)OS(=O)(=O)C
InChI
InChI=1S/C6H14O6S2/c1-6(12-14(3,9)10)4-5-11-13(2,7)8/h6H,4-5H2,1-3H3
InChIKey
SCXGDEPESDDDLL-UHFFFAOYSA-N
Compound name
3-methylsulfonyloxybutyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

246.02318 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.03046 155.5
[M+Na]+ 269.01240 161.5
[M+NH4]+ 264.05700 160.0
[M+K]+ 284.98634 156.6
[M-H]- 245.01590 150.7
[M+Na-2H]- 266.99785 154.6
[M]+ 246.02263 155.5
[M]- 246.02373 155.5
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