CID 131751650

6z-8-hydroxygeraniol 8-o-glucoside

Structural Information

Molecular Formula
C16H28O7
SMILES
C/C(=C\COC1C(C(C(C(O1)CO)O)O)O)/CC/C=C(/C)\CO
InChI
InChI=1S/C16H28O7/c1-10(4-3-5-11(2)8-17)6-7-22-16-15(21)14(20)13(19)12(9-18)23-16/h5-6,12-21H,3-4,7-9H2,1-2H3/b10-6+,11-5-
InChIKey
XZHWSTJFHFQEOY-NYHKZRGGSA-N
Compound name
2-[(2E,6Z)-8-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1835 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19078 180.2
[M+Na]+ 355.17272 182.7
[M-H]- 331.17622 176.5
[M+NH4]+ 350.21732 189.5
[M+K]+ 371.14666 180.4
[M+H-H2O]+ 315.18076 174.3
[M+HCOO]- 377.18170 189.3
[M+CH3COO]- 391.19735 200.8
[M+Na-2H]- 353.15817 175.7
[M]+ 332.18295 178.7
[M]- 332.18405 178.7
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.