CID 10997824

4-(4-piperidinylmethyl)benzenamine

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

C1CNCCC1CC2=CC=C(C=C2)N

InChI

InChI=1S/C12H18N2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9,13H2

InChIKey

BLNHLPPJDFYMDH-UHFFFAOYSA-N

Compound name

4-(piperidin-4-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 190.147 Da
Monoisotopic Mass: 1.8
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]+	191.154276	144.2
[M+Na]+	213.136218	148.3
[M-H]-	189.139724	146.6
[M+NH4]+	208.180823	160.8
[M+K]+	229.110158	143.9
[M+H-H2O]+	173.144260	136.5
[M+HCOO]-	235.145201	162.5
[M+CH3COO]-	249.160851	182.4
[M+Na-2H]-	211.121666	148.6
[M]+	190.14645142	135.6
[M]-	190.14754858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe