CID 5052838

1-piperidino-2-ethyl-1-butanone

Structural Information

Molecular Formula

C₁₁H₂₁NO

SMILES

CCC(CC)C(=O)N1CCCCC1

InChI

InChI=1S/C11H21NO/c1-3-10(4-2)11(13)12-8-6-5-7-9-12/h10H,3-9H2,1-2H3

InChIKey

PPTCIOVDWTZNON-UHFFFAOYSA-N

Compound name

2-ethyl-1-piperidin-1-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.16231 Da
Monoisotopic Mass: 2.3
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]+	184.169586	145.8
[M+Na]+	206.151528	149.1
[M-H]-	182.155034	146.6
[M+NH4]+	201.196133	164.0
[M+K]+	222.125468	148.2
[M+H-H2O]+	166.159570	139.0
[M+HCOO]-	228.160511	162.5
[M+CH3COO]-	242.176161	183.3
[M+Na-2H]-	204.136976	147.5
[M]+	183.16176142	142.0
[M]-	183.16285858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.