CID 142775

Mannitol myleran

Structural Information

Molecular Formula
C8H18O10S2
SMILES
CS(=O)(=O)OC[C@H]([C@H]([C@@H]([C@@H](COS(=O)(=O)C)O)O)O)O
InChI
InChI=1S/C8H18O10S2/c1-19(13,14)17-3-5(9)7(11)8(12)6(10)4-18-20(2,15)16/h5-12H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKey
ODOISJJCWUVNDJ-WCTZXXKLSA-N
Compound name
[(2R,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-methylsulfonyloxyhexyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

338.03415 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.04143 169.3
[M+Na]+ 361.02337 169.6
[M+NH4]+ 356.06797 169.3
[M+K]+ 376.99731 170.6
[M-H]- 337.02687 159.5
[M+Na-2H]- 359.00882 164.1
[M]+ 338.03360 166.5
[M]- 338.03470 166.5
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

patents stripe