CID 20461540

2-piperidino butyrophenone

Structural Information

Molecular Formula

C₁₅H₂₁NO

SMILES

CCC(C(=O)C1=CC=CC=C1)N2CCCCC2

InChI

InChI=1S/C15H21NO/c1-2-14(16-11-7-4-8-12-16)15(17)13-9-5-3-6-10-13/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3

InChIKey

VFLPICJWFQLLSY-UHFFFAOYSA-N

Compound name

1-phenyl-2-piperidin-1-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 28
Patents: 231.16231 Da
Monoisotopic Mass: 3.4
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]+	232.169586	155.9
[M+Na]+	254.151528	158.6
[M-H]-	230.155034	159.5
[M+NH4]+	249.196133	171.5
[M+K]+	270.125468	155.8
[M+H-H2O]+	214.159570	147.4
[M+HCOO]-	276.160511	172.6
[M+CH3COO]-	290.176161	191.6
[M+Na-2H]-	252.136976	158.0
[M]+	231.16176142	150.9
[M]-	231.16285858	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe