CID 3016208

5-undecen-2-one

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CCCCCC=CCCC(=O)C

InChI

InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h7-8H,3-6,9-10H2,1-2H3

InChIKey

GAZJVINYNDPROS-UHFFFAOYSA-N

Compound name

undec-5-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
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]+	169.15869	142.2
[M+Na]+	191.14063	147.8
[M-H]-	167.14413	141.8
[M+NH4]+	186.18523	163.0
[M+K]+	207.11457	146.1
[M+H-H2O]+	151.14867	137.2
[M+HCOO]-	213.14961	164.1
[M+CH3COO]-	227.16526	182.7
[M+Na-2H]-	189.12608	145.5
[M]+	168.15086	144.8
[M]-	168.15196	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe