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

6
Annotation Hits: 222
References: 16957
Patents: 204.1878 Da
Monoisotopic Mass: 6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.19508	154.2
[M+Na]+	227.17702	158.6
[M-H]-	203.18052	153.5
[M+NH4]+	222.22162	173.5
[M+K]+	243.15096	155.0
[M+H-H2O]+	187.18506	149.2
[M+HCOO]-	249.18600	173.0
[M+CH3COO]-	263.20165	191.4
[M+Na-2H]-	225.16247	153.0
[M]+	204.18725	154.0
[M]-	204.18835	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe