CID 99909

2,3-butanediol, dimethanesulfonate

Structural Information

Molecular Formula
C6H14O6S2
SMILES
CC(C(C)OS(=O)(=O)C)OS(=O)(=O)C
InChI
InChI=1S/C6H14O6S2/c1-5(11-13(3,7)8)6(2)12-14(4,9)10/h5-6H,1-4H3
InChIKey
WRAXODRAAIYKAW-UHFFFAOYSA-N
Compound name
3-methylsulfonyloxybutan-2-yl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

329
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 148.9
[M+Na]+ 269.01240 155.6
[M-H]- 245.01590 148.9
[M+NH4]+ 264.05700 166.1
[M+K]+ 284.98634 154.5
[M+H-H2O]+ 229.02044 143.9
[M+HCOO]- 291.02138 158.3
[M+CH3COO]- 305.03703 186.9
[M+Na-2H]- 266.99785 150.8
[M]+ 246.02263 156.1
[M]- 246.02373 156.1
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.