CID 11769694

.beta.-d-fructofuranoside, ethyl

Structural Information

Molecular Formula
C8H16O6
SMILES
CCO[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO
InChI
InChI=1S/C8H16O6/c1-2-13-8(4-10)7(12)6(11)5(3-9)14-8/h5-7,9-12H,2-4H2,1H3/t5-,6-,7+,8-/m1/s1
InChIKey
KQQFKZUGBOQKLW-OOJXKGFFSA-N
Compound name
(2R,3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

156
Patents

208.09468 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10196 141.8
[M+Na]+ 231.08390 148.9
[M-H]- 207.08740 140.9
[M+NH4]+ 226.12850 160.7
[M+K]+ 247.05784 148.4
[M+H-H2O]+ 191.09194 138.6
[M+HCOO]- 253.09288 158.6
[M+CH3COO]- 267.10853 175.0
[M+Na-2H]- 229.06935 145.3
[M]+ 208.09413 142.6
[M]- 208.09523 142.6
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