CID 544668

2,8-dimethyl-4-methylenenonane

Structural Information

Molecular Formula

C₁₂H₂₄

SMILES

CC(C)CCCC(=C)CC(C)C

InChI

InChI=1S/C12H24/c1-10(2)7-6-8-12(5)9-11(3)4/h10-11H,5-9H2,1-4H3

InChIKey

VTEKUEFBVZNXMD-UHFFFAOYSA-N

Compound name

2,8-dimethyl-4-methylidenenonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 168.1878 Da
Monoisotopic Mass: 5.6
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]+	169.195076	145.3
[M+Na]+	191.177018	149.7
[M-H]-	167.180524	144.9
[M+NH4]+	186.221623	166.0
[M+K]+	207.150958	148.7
[M+H-H2O]+	151.185060	140.4
[M+HCOO]-	213.186001	164.3
[M+CH3COO]-	227.201651	187.2
[M+Na-2H]-	189.162466	145.5
[M]+	168.18725142	146.2
[M]-	168.18834858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe