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
3
Annotation Hits

0
References

4640
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 222.1
[M+Na]+ 483.36562 220.4
[M-H]- 459.36912 217.5
[M+NH4]+ 478.41022 227.0
[M+K]+ 499.33956 216.2
[M+H-H2O]+ 443.37366 213.9
[M+HCOO]- 505.37460 230.6
[M+CH3COO]- 519.39025 230.6
[M+Na-2H]- 481.35107 215.4
[M]+ 460.37585 227.3
[M]- 460.37695 227.3
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