CID 2723872

D-fructopyranose

Structural Information

Molecular Formula
C6H12O6
SMILES
C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O
InChI
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1
InChIKey
LKDRXBCSQODPBY-VRPWFDPXSA-N
Compound name
(3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

19559
References

64922
Patents

180.06339 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.070666 135.0
[M+Na]+ 203.052608 141.8
[M-H]- 179.056114 132.9
[M+NH4]+ 198.097213 152.5
[M+K]+ 219.026548 141.2
[M+H-H2O]+ 163.060650 131.6
[M+HCOO]- 225.061591 148.8
[M+CH3COO]- 239.077241 167.3
[M+Na-2H]- 201.038056 139.9
[M]+ 180.06284142 131.3
[M]- 180.06393858 131.3
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