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 165.8
[M+Na]+ 325.00222 172.8
[M-H]- 301.00572 173.3
[M+NH4]+ 320.04682 168.3
[M+K]+ 340.97616 172.0
[M+H-H2O]+ 285.01026 159.3
[M+HCOO]- 347.01120 173.9
[M+CH3COO]- 361.02685 205.8
[M+Na-2H]- 322.98767 168.6
[M]+ 302.01245 178.7
[M]- 302.01355 178.7
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.