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: 45
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	142.3
[M+Na]+	191.14063	152.2
[M+NH4]+	186.18523	149.7
[M+K]+	207.11457	145.2
[M-H]-	167.14413	141.6
[M+Na-2H]-	189.12608	145.1
[M]+	168.15086	143.3
[M]-	168.15196	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe