CID 99909

Butane-2,3-diyl 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

644
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

literature stripe

Patent stripe

patents stripe