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: 131
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	139.7
[M+Na]+	199.12057	144.3
[M-H]-	175.12407	142.4
[M+NH4]+	194.16517	156.9
[M+K]+	215.09451	140.2
[M+H-H2O]+	159.12861	132.2
[M+HCOO]-	221.12955	158.4
[M+CH3COO]-	235.14520	150.8
[M+Na-2H]-	197.10602	144.7
[M]+	176.13080	130.8
[M]-	176.13190	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe