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: 55
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]+	177.13863	140.5
[M+Na]+	199.12057	152.3
[M+NH4]+	194.16517	149.6
[M+K]+	215.09451	145.2
[M-H]-	175.12407	144.9
[M+Na-2H]-	197.10602	148.2
[M]+	176.13080	143.3
[M]-	176.13190	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe