CID 11243710

16-hydroxygeranylgeraniol

Structural Information

Molecular Formula
C20H34O2
SMILES
C/C(=C\CC/C(=C/CO)/C)/CC/C=C(\C)/CC/C=C(\C)/CO
InChI
InChI=1S/C20H34O2/c1-17(10-6-12-19(3)14-15-21)8-5-9-18(2)11-7-13-20(4)16-22/h9-10,13-14,21-22H,5-8,11-12,15-16H2,1-4H3/b17-10+,18-9+,19-14+,20-13+
InChIKey
CLOPQFCHWDTGFD-BMTMAWCHSA-N
Compound name
(2E,6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene-1,16-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

306.2559 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 185.6
[M+Na]+ 329.24512 186.9
[M-H]- 305.24862 181.1
[M+NH4]+ 324.28972 199.2
[M+K]+ 345.21906 181.6
[M+H-H2O]+ 289.25316 179.8
[M+HCOO]- 351.25410 199.2
[M+CH3COO]- 365.26975 205.2
[M+Na-2H]- 327.23057 179.3
[M]+ 306.25535 185.5
[M]- 306.25645 185.5
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