CID 6433525

5-ethyl-3-nonen-2-one

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CCCCC(CC)/C=C/C(=O)C

InChI

InChI=1S/C11H20O/c1-4-6-7-11(5-2)9-8-10(3)12/h8-9,11H,4-7H2,1-3H3/b9-8+

InChIKey

SWBGUNASIKSCCO-CMDGGOBGSA-N

Compound name

(E)-5-ethylnon-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 13
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

No literature data available for this compound.

Patent stripe

patents stripe