CID 86289120

6-deoxy-6-sulfo-d-fructose

Structural Information

Molecular Formula
C6H12O8S
SMILES
C([C@@H]1[C@H]([C@@H](C(O1)(CO)O)O)O)S(=O)(=O)O
InChI
InChI=1S/C6H12O8S/c7-2-6(10)5(9)4(8)3(14-6)1-15(11,12)13/h3-5,7-10H,1-2H2,(H,11,12,13)/t3-,4-,5+,6?/m1/s1
InChIKey
QTQNAYQDKCBJTC-VRPWFDPXSA-N
Compound name
[(2S,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

244.02528 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03256 147.7
[M+Na]+ 267.01450 152.2
[M+NH4]+ 262.05910 152.2
[M+K]+ 282.98844 151.7
[M-H]- 243.01800 143.3
[M+Na-2H]- 264.99995 146.6
[M]+ 244.02473 147.0
[M]- 244.02583 147.0
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

No patent data available for this compound.