CID 22047909

721958-70-9

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

C1CNCCC1C2=CC(=CC=C2)N

InChI

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

InChIKey

XOVUFGGDEAHJLB-UHFFFAOYSA-N

Compound name

3-piperidin-4-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
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