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

333
Patents

246.02318 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.030456 148.9
[M+Na]+ 269.012398 155.6
[M-H]- 245.015904 148.9
[M+NH4]+ 264.057003 166.1
[M+K]+ 284.986338 154.5
[M+H-H2O]+ 229.020440 143.9
[M+HCOO]- 291.021381 158.3
[M+CH3COO]- 305.037031 186.9
[M+Na-2H]- 266.997846 150.8
[M]+ 246.02263142 156.1
[M]- 246.02372858 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