CID 119626

Stearyl glucoside

Structural Information

Molecular Formula
C24H48O6
SMILES
CCCCCCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C24H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-24-23(28)22(27)21(26)20(19-25)30-24/h20-28H,2-19H2,1H3/t20-,21-,22+,23-,24-/m1/s1
InChIKey
UFSKIYBOKFBSOA-GNADVCDUSA-N
Compound name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octadecoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

64
Patents

432.3451 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.352376 213.7
[M+Na]+ 455.334318 212.9
[M-H]- 431.337824 209.5
[M+NH4]+ 450.378923 219.8
[M+K]+ 471.308258 209.1
[M+H-H2O]+ 415.342360 205.8
[M+HCOO]- 477.343301 222.9
[M+CH3COO]- 491.358951 224.8
[M+Na-2H]- 453.319766 207.9
[M]+ 432.34455142 218.2
[M]- 432.34564858 218.2
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