CID 22622231

2-(piperidin-4-yl)aniline

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

C1CNCCC1C2=CC=CC=C2N

InChI

InChI=1S/C11H16N2/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9/h1-4,9,13H,5-8,12H2

InChIKey

NCVKHJZWDQYPQR-UHFFFAOYSA-N

Compound name

2-piperidin-4-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 176.13135 Da
Monoisotopic Mass: 1.4
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]+	177.138626	139.7
[M+Na]+	199.120568	144.3
[M-H]-	175.124074	142.4
[M+NH4]+	194.165173	156.9
[M+K]+	215.094508	140.2
[M+H-H2O]+	159.128610	132.2
[M+HCOO]-	221.129551	158.4
[M+CH3COO]-	235.145201	150.8
[M+Na-2H]-	197.106016	144.7
[M]+	176.13080142	130.8
[M]-	176.13189858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe