CID 128889

.beta.-d-fructofuranoside, methyl

Structural Information

Molecular Formula
C7H14O6
SMILES
CO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO
InChI
InChI=1S/C7H14O6/c1-12-7(3-9)6(11)5(10)4(2-8)13-7/h4-6,8-11H,2-3H2,1H3/t4-,5-,6+,7-/m1/s1
InChIKey
JPHVNZOOBXUCDJ-MVIOUDGNSA-N
Compound name
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-methoxyoxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

106
Patents

194.07904 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.086316 137.3
[M+Na]+ 217.068258 144.8
[M-H]- 193.071764 136.5
[M+NH4]+ 212.112863 156.8
[M+K]+ 233.042198 144.5
[M+H-H2O]+ 177.076300 134.3
[M+HCOO]- 239.077241 154.4
[M+CH3COO]- 253.092891 172.0
[M+Na-2H]- 215.053706 141.3
[M]+ 194.07849142 137.7
[M]- 194.07958858 137.7
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