CID 102232250

Beta-geranylfarnesene

Structural Information

Molecular Formula
C25H40
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CCC(=C)C=C)/C)/C)/C)C
InChI
InChI=1S/C25H40/c1-8-22(4)14-10-16-24(6)18-12-20-25(7)19-11-17-23(5)15-9-13-21(2)3/h8,13,16-17,20H,1,4,9-12,14-15,18-19H2,2-3,5-7H3/b23-17+,24-16+,25-20+
InChIKey
ZAENFYLULMRPFH-ITTVFDGXSA-N
Compound name
(6E,10E,14E)-7,11,15,19-tetramethyl-3-methylideneicosa-1,6,10,14,18-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

340.313 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.320276 195.5
[M+Na]+ 363.302218 196.1
[M-H]- 339.305724 193.1
[M+NH4]+ 358.346823 209.1
[M+K]+ 379.276158 189.5
[M+H-H2O]+ 323.310260 189.2
[M+HCOO]- 385.311201 209.4
[M+CH3COO]- 399.326851 220.5
[M+Na-2H]- 361.287666 186.8
[M]+ 340.31245142 196.3
[M]- 340.31354858 196.3
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

patents stripe