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 144.6
[M+Na]+ 267.01450 151.7
[M-H]- 243.01800 142.3
[M+NH4]+ 262.05910 161.3
[M+K]+ 282.98844 150.4
[M+H-H2O]+ 227.02254 142.4
[M+HCOO]- 289.02348 154.4
[M+CH3COO]- 303.03913 174.6
[M+Na-2H]- 264.99995 148.1
[M]+ 244.02473 146.1
[M]- 244.02583 146.1
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.