CID 41078

54411-03-9

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CCCCCCC=C(C)C(=O)C

InChI

InChI=1S/C11H20O/c1-4-5-6-7-8-9-10(2)11(3)12/h9H,4-8H2,1-3H3

InChIKey

FKAXTVXZKQJKBJ-UHFFFAOYSA-N

Compound name

3-methyldec-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 168.15141 Da
Monoisotopic Mass: 3.7
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	142.4
[M+Na]+	191.140628	147.9
[M-H]-	167.144134	142.2
[M+NH4]+	186.185233	163.1
[M+K]+	207.114568	146.6
[M+H-H2O]+	151.148670	137.6
[M+HCOO]-	213.149611	163.3
[M+CH3COO]-	227.165261	183.5
[M+Na-2H]-	189.126076	144.5
[M]+	168.15086142	144.3
[M]-	168.15195858	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe