CID 5281516

Alpha-farnesene

Structural Information

Molecular Formula
C15H24
SMILES
CC(=CCC/C(=C/C/C=C(\C)/C=C)/C)C
InChI
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+
InChIKey
CXENHBSYCFFKJS-VDQVFBMKSA-N
Compound name
(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

221
References

14833
Patents

204.1878 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 156.2
[M+Na]+ 227.17702 165.2
[M+NH4]+ 222.22162 162.8
[M+K]+ 243.15096 158.2
[M-H]- 203.18052 155.0
[M+Na-2H]- 225.16247 157.5
[M]+ 204.18725 156.8
[M]- 204.18835 156.8
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