CID 161621

29171-77-5

Structural Information

Molecular Formula
C8H14O8S2
SMILES
CS(=O)(=O)OC[C@H]1[C@@H](O1)[C@H]2[C@@H](O2)COS(=O)(=O)C
InChI
InChI=1S/C8H14O8S2/c1-17(9,10)13-3-5-7(15-5)8-6(16-8)4-14-18(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-,7+,8+/m0/s1
InChIKey
MFJOKRDJJGVHTE-RULNZFCNSA-N
Compound name
[(2S,3R)-3-[(2R,3S)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.013 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.02028 157.7
[M+Na]+ 325.00222 166.8
[M+NH4]+ 320.04682 162.9
[M+K]+ 340.97616 166.1
[M-H]- 301.00572 169.7
[M+Na-2H]- 322.98767 162.9
[M]+ 302.01245 164.8
[M]- 302.01355 164.8
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

No patent data available for this compound.