CID 14239337

L-citronellol glucoside

Structural Information

Molecular Formula
C16H30O6
SMILES
CC(CCC=C(C)C)CCOC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C16H30O6/c1-10(2)5-4-6-11(3)7-8-21-16-15(20)14(19)13(18)12(9-17)22-16/h5,11-20H,4,6-9H2,1-3H3
InChIKey
BGAILLKFXBSPRD-UHFFFAOYSA-N
Compound name
2-(3,7-dimethyloct-6-enoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

318.20422 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21150 177.6
[M+Na]+ 341.19344 183.4
[M+NH4]+ 336.23804 180.8
[M+K]+ 357.16738 181.4
[M-H]- 317.19694 175.7
[M+Na-2H]- 339.17889 174.5
[M]+ 318.20367 177.2
[M]- 318.20477 177.2
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