CID 439709

Beta-d-fructofuranose

Structural Information

Molecular Formula
C6H12O6
SMILES
C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
InChI
InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKey
RFSUNEUAIZKAJO-ARQDHWQXSA-N
Compound name
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

23762
References

139471
Patents

180.06339 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07067 133.9
[M+Na]+ 203.05261 141.4
[M-H]- 179.05611 131.9
[M+NH4]+ 198.09721 153.2
[M+K]+ 219.02655 140.4
[M+H-H2O]+ 163.06065 131.2
[M+HCOO]- 225.06159 149.8
[M+CH3COO]- 239.07724 166.8
[M+Na-2H]- 201.03806 137.9
[M]+ 180.06284 132.1
[M]- 180.06394 132.1
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

patents stripe