CID 95642

5-nonen-2-one, 6,8-dimethyl-

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

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

InChI

InChI=1S/C11H20O/c1-9(2)8-10(3)6-5-7-11(4)12/h6,9H,5,7-8H2,1-4H3

InChIKey

ALNHSGHECMTZKH-UHFFFAOYSA-N

Compound name

6,8-dimethylnon-5-en-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 15
Patents: 168.15141 Da
Monoisotopic Mass: 3.1
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]+	169.158686	142.3
[M+Na]+	191.140628	147.6
[M-H]-	167.144134	142.2
[M+NH4]+	186.185233	163.0
[M+K]+	207.114568	146.7
[M+H-H2O]+	151.148670	137.6
[M+HCOO]-	213.149611	162.2
[M+CH3COO]-	227.165261	184.4
[M+Na-2H]-	189.126076	143.2
[M]+	168.15086142	143.6
[M]-	168.15195858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe