CID 11097293

43ad7u2y72

Structural Information

Molecular Formula
C6H12O9S
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)OS(=O)(=O)O
InChI
InChI=1S/C6H12O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
InChIKey
OKUVUONOJCDUJY-GASJEMHNSA-N
Compound name
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

260.0202 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02748 150.2
[M+Na]+ 283.00942 155.5
[M+NH4]+ 278.05402 152.9
[M+K]+ 298.98336 155.4
[M-H]- 259.01292 146.2
[M+Na-2H]- 280.99487 147.5
[M]+ 260.01965 149.5
[M]- 260.02075 149.5
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.