CID 511917

Cyclooctyl .beta.-d-glucopyranoside

Structural Information

Molecular Formula
C14H26O6
SMILES
C1CCCC(CCC1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C14H26O6/c15-8-10-11(16)12(17)13(18)14(20-10)19-9-6-4-2-1-3-5-7-9/h9-18H,1-8H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey
XJSXQHKLSKNLGD-RKQHYHRCSA-N
Compound name
(2R,3R,4S,5S,6R)-2-cyclooctyloxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.17294 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18022 161.1
[M+Na]+ 313.16216 163.8
[M-H]- 289.16566 161.7
[M+NH4]+ 308.20676 166.4
[M+K]+ 329.13610 164.2
[M+H-H2O]+ 273.17020 157.3
[M+HCOO]- 335.17114 165.5
[M+CH3COO]- 349.18679 226.1
[M+Na-2H]- 311.14761 158.7
[M]+ 290.17239 158.0
[M]- 290.17349 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.