CID 89982

N-phenylpiperidin-4-amine

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

C1CNCCC1NC2=CC=CC=C2

InChI

InChI=1S/C11H16N2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-13H,6-9H2

InChIKey

LKRMTUUCKBQGFO-UHFFFAOYSA-N

Compound name

N-phenylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 645
Patents: 176.13135 Da
Monoisotopic Mass: 2.0
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]+	177.13863	138.8
[M+Na]+	199.12057	142.3
[M-H]-	175.12407	141.5
[M+NH4]+	194.16517	155.8
[M+K]+	215.09451	138.6
[M+H-H2O]+	159.12861	131.0
[M+HCOO]-	221.12955	158.1
[M+CH3COO]-	235.14520	149.7
[M+Na-2H]-	197.10602	145.5
[M]+	176.13080	130.4
[M]-	176.13190	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe