CID 62852

29836-26-8

Structural Information

Molecular Formula
C14H28O6
SMILES
CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey
HEGSGKPQLMEBJL-RKQHYHRCSA-N
Compound name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

960
References

48891
Patents

292.1886 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19588 169.5
[M+Na]+ 315.17782 176.4
[M+NH4]+ 310.22242 173.6
[M+K]+ 331.15176 173.3
[M-H]- 291.18132 168.4
[M+Na-2H]- 313.16327 167.7
[M]+ 292.18805 169.6
[M]- 292.18915 169.6
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