CID 6437801

3-undecen-2-one

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

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

InChI

InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h9-10H,3-8H2,1-2H3/b10-9+

InChIKey

CCXHMPZXKYIXPU-MDZDMXLPSA-N

Compound name

(E)-undec-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 55
Patents: 168.15141 Da
Monoisotopic Mass: 3.9
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	147.8
[M-H]-	167.144134	141.8
[M+NH4]+	186.185233	163.0
[M+K]+	207.114568	146.1
[M+H-H2O]+	151.148670	137.2
[M+HCOO]-	213.149611	164.1
[M+CH3COO]-	227.165261	182.7
[M+Na-2H]-	189.126076	145.5
[M]+	168.15086142	144.8
[M]-	168.15195858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe