CID 9933984

Eicosyl beta-glucoside

Structural Information

Molecular Formula
C26H52O6
SMILES
CCCCCCCCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C26H52O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-26-25(30)24(29)23(28)22(21-27)32-26/h22-30H,2-21H2,1H3/t22-,23-,24+,25-,26-/m1/s1
InChIKey
DHFUFHYLYSCIJY-WSGIOKLISA-N
Compound name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-icosoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4636
Patents

460.3764 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.38368 221.7
[M+Na]+ 483.36562 226.0
[M+NH4]+ 478.41022 223.6
[M+K]+ 499.33956 220.1
[M-H]- 459.36912 220.0
[M+Na-2H]- 481.35107 216.8
[M]+ 460.37585 221.2
[M]- 460.37695 221.2
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

patents stripe