CID 121667

Ethyl glucoside

Structural Information

Molecular Formula
C8H16O6
SMILES
CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8-/m1/s1
InChIKey
WYUFTYLVLQZQNH-JAJWTYFOSA-N
Compound name
(2R,3R,4S,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

21
References

3683
Patents

208.09468 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.101956 143.5
[M+Na]+ 231.083898 149.8
[M-H]- 207.087404 142.4
[M+NH4]+ 226.128503 158.8
[M+K]+ 247.057838 149.4
[M+H-H2O]+ 191.091940 138.6
[M+HCOO]- 253.092881 158.2
[M+CH3COO]- 267.108531 177.3
[M+Na-2H]- 229.069346 145.8
[M]+ 208.09413142 142.3
[M]- 208.09522858 142.3
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