CID 73817234

1-octen-3-yl glucoside

Structural Information

Molecular Formula
C14H26O6
SMILES
CCCCCC(C=C)OC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C14H26O6/c1-3-5-6-7-9(4-2)19-14-13(18)12(17)11(16)10(8-15)20-14/h4,9-18H,2-3,5-8H2,1H3
InChIKey
MPSRBJBPHXIOFN-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-oct-1-en-3-yloxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

290.17294 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18022 169.4
[M+Na]+ 313.16216 173.1
[M-H]- 289.16566 167.3
[M+NH4]+ 308.20676 181.2
[M+K]+ 329.13610 171.4
[M+H-H2O]+ 273.17020 163.6
[M+HCOO]- 335.17114 181.2
[M+CH3COO]- 349.18679 195.6
[M+Na-2H]- 311.14761 167.4
[M]+ 290.17239 169.0
[M]- 290.17349 169.0
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