CID 90769

Dtxsid00874708

Structural Information

Molecular Formula

C₁₅H₂₁NO

SMILES

CC(CN1CCCCC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H21NO/c1-13(12-16-10-6-3-7-11-16)15(17)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3

InChIKey

SOYVHSZVPQHVOP-UHFFFAOYSA-N

Compound name

2-methyl-1-phenyl-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 231.16231 Da
Monoisotopic Mass: 3.0
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