CID 6439529

Geranylfarnesol

Structural Information

Molecular Formula
C25H42O
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)C
InChI
InChI=1S/C25H42O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h11,13,15,17,19,26H,7-10,12,14,16,18,20H2,1-6H3/b22-13+,23-15+,24-17+,25-19+
InChIKey
YHTCXUSSQJMLQD-GIXZANJISA-N
Compound name
(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

554
Patents

358.32358 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.33086 202.2
[M+Na]+ 381.31280 202.1
[M-H]- 357.31630 198.3
[M+NH4]+ 376.35740 214.4
[M+K]+ 397.28674 195.8
[M+H-H2O]+ 341.32084 195.8
[M+HCOO]- 403.32178 214.7
[M+CH3COO]- 417.33743 219.9
[M+Na-2H]- 379.29825 192.7
[M]+ 358.32303 203.1
[M]- 358.32413 203.1
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