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

13
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 146.8
[M+Na]+ 283.00942 152.7
[M-H]- 259.01292 144.2
[M+NH4]+ 278.05402 159.0
[M+K]+ 298.98336 151.9
[M+H-H2O]+ 243.01746 142.2
[M+HCOO]- 305.01840 154.8
[M+CH3COO]- 319.03405 179.6
[M+Na-2H]- 280.99487 149.1
[M]+ 260.01965 147.6
[M]- 260.02075 147.6
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.