CID 5281517

18794-84-8

Structural Information

Molecular Formula

C₁₅H₂₄

SMILES

CC(=CCC/C(=C/CCC(=C)C=C)/C)C

InChI

InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+

InChIKey

JSNRRGGBADWTMC-NTCAYCPXSA-N

Compound name

(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 183
References: 9951
Patents: 204.1878 Da
Monoisotopic Mass: 6.2
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]+	205.195076	154.0
[M+Na]+	227.177018	158.3
[M-H]-	203.180524	153.2
[M+NH4]+	222.221623	173.2
[M+K]+	243.150958	154.7
[M+H-H2O]+	187.185060	148.9
[M+HCOO]-	249.186001	172.8
[M+CH3COO]-	263.201651	192.0
[M+Na-2H]-	225.162466	152.8
[M]+	204.18725142	153.9
[M]-	204.18834858	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe