CID 22269604

(s)-3-octanol glucoside

Structural Information

Molecular Formula
C14H28O6
SMILES
CCCCCC(CC)OC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C14H28O6/c1-3-5-6-7-9(4-2)19-14-13(18)12(17)11(16)10(8-15)20-14/h9-18H,3-8H2,1-2H3
InChIKey
UZTJHMFXKSHSMS-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-octan-3-yloxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

292.1886 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.19588 169.6
[M+Na]+ 315.17782 176.1
[M+NH4]+ 310.22242 173.6
[M+K]+ 331.15176 173.9
[M-H]- 291.18132 168.3
[M+Na-2H]- 313.16327 167.4
[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

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