CID 3056521

73790-75-7

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

CCC(C1=CC=CC=C1)N2CCCCC2

InChI

InChI=1S/C14H21N/c1-2-14(13-9-5-3-6-10-13)15-11-7-4-8-12-15/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3

InChIKey

ACYNSACEHCEQNO-UHFFFAOYSA-N

Compound name

1-(1-phenylpropyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 203.1674 Da
Monoisotopic Mass: 3.5
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]+	204.17468	149.1
[M+Na]+	226.15662	152.3
[M-H]-	202.16012	152.8
[M+NH4]+	221.20122	166.1
[M+K]+	242.13056	149.4
[M+H-H2O]+	186.16466	140.8
[M+HCOO]-	248.16560	166.8
[M+CH3COO]-	262.18125	186.6
[M+Na-2H]-	224.14207	153.0
[M]+	203.16685	143.7
[M]-	203.16795	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe