CID 101521

4-acetyl-4-phenylpiperidine

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

CC(=O)C1(CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C13H17NO/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12/h2-6,14H,7-10H2,1H3

InChIKey

RKHWHRHOEKYEJW-UHFFFAOYSA-N

Compound name

1-(4-phenylpiperidin-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 937
Patents: 203.13101 Da
Monoisotopic Mass: 1.5
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]+	204.138286	147.8
[M+Na]+	226.120228	152.3
[M-H]-	202.123734	150.8
[M+NH4]+	221.164833	166.1
[M+K]+	242.094168	149.0
[M+H-H2O]+	186.128270	140.6
[M+HCOO]-	248.129211	164.9
[M+CH3COO]-	262.144861	181.7
[M+Na-2H]-	224.105676	152.7
[M]+	203.13046142	141.3
[M]-	203.13155858	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe