CID 14138808

(x)-2-heptanol glucoside

Structural Information

Molecular Formula
C13H26O6
SMILES
CCCCCC(C)OC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C13H26O6/c1-3-4-5-6-8(2)18-13-12(17)11(16)10(15)9(7-14)19-13/h8-17H,3-7H2,1-2H3
InChIKey
NZLSMMMVSHTELV-UHFFFAOYSA-N
Compound name
2-heptan-2-yloxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.17294 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18022 166.4
[M+Na]+ 301.16216 170.2
[M-H]- 277.16566 164.4
[M+NH4]+ 296.20676 178.8
[M+K]+ 317.13610 169.3
[M+H-H2O]+ 261.17020 160.7
[M+HCOO]- 323.17114 178.3
[M+CH3COO]- 337.18679 193.3
[M+Na-2H]- 299.14761 164.8
[M]+ 278.17239 166.3
[M]- 278.17349 166.3
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

No patent data available for this compound.