CID 171356

54549-27-8

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
3
Annotation Hits

0
References

1477
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 205.2
[M+Na]+ 427.30300 205.3
[M-H]- 403.30650 201.4
[M+NH4]+ 422.34760 212.5
[M+K]+ 443.27694 202.0
[M+H-H2O]+ 387.31104 197.7
[M+HCOO]- 449.31198 215.1
[M+CH3COO]- 463.32763 219.0
[M+Na-2H]- 425.28845 200.4
[M]+ 404.31323 209.0
[M]- 404.31433 209.0
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

patents stripe