CID 12502802

Undec-1-en-6-one

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CCCCCC(=O)CCCC=C

InChI

InChI=1S/C11H20O/c1-3-5-7-9-11(12)10-8-6-4-2/h3H,1,4-10H2,2H3

InChIKey

UVICMAZHYMEBNS-UHFFFAOYSA-N

Compound name

undec-1-en-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 168.15141 Da
Monoisotopic Mass: 3.3
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	142.0
[M+Na]+	191.140628	147.6
[M-H]-	167.144134	141.6
[M+NH4]+	186.185233	162.7
[M+K]+	207.114568	145.8
[M+H-H2O]+	151.148670	137.0
[M+HCOO]-	213.149611	163.8
[M+CH3COO]-	227.165261	183.4
[M+Na-2H]-	189.126076	145.3
[M]+	168.15086142	144.6
[M]-	168.15195858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe