CID 129749352

4,8-dimethylnon-8-enal

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC(CCCC(=C)C)CCC=O

InChI

InChI=1S/C11H20O/c1-10(2)6-4-7-11(3)8-5-9-12/h9,11H,1,4-8H2,2-3H3

InChIKey

MJESIMIKKXLOCY-UHFFFAOYSA-N

Compound name

4,8-dimethylnon-8-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.15141 Da
Monoisotopic Mass: 3.6
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]+	169.158686	142.2
[M+Na]+	191.140628	147.6
[M-H]-	167.144134	141.9
[M+NH4]+	186.185233	162.9
[M+K]+	207.114568	146.3
[M+H-H2O]+	151.148670	137.3
[M+HCOO]-	213.149611	163.1
[M+CH3COO]-	227.165261	184.2
[M+Na-2H]-	189.126076	144.3
[M]+	168.15086142	144.2
[M]-	168.15195858	144.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.