CID 171356

Hexadecyl d-glucoside

Structural Information

Molecular Formula
C22H44O6
SMILES
CCCCCCCCCCCCCCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C22H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-22-21(26)20(25)19(24)18(17-23)28-22/h18-26H,2-17H2,1H3/t18-,19-,20+,21-,22?/m1/s1
InChIKey
PAEMERHSTIDLSE-VEIQOZLZSA-N
Compound name
(3R,4S,5S,6R)-2-hexadecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1216
Patents

404.31378 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.32106 204.4
[M+Na]+ 427.30300 209.6
[M+NH4]+ 422.34760 207.1
[M+K]+ 443.27694 204.6
[M-H]- 403.30650 203.0
[M+Na-2H]- 425.28845 200.6
[M]+ 404.31323 204.1
[M]- 404.31433 204.1
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