CID 2795553

(3-piperidinophenyl)methylamine

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

C1CCN(CC1)C2=CC=CC(=C2)CN

InChI

InChI=1S/C12H18N2/c13-10-11-5-4-6-12(9-11)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10,13H2

InChIKey

BISSHLVDQOLHNQ-UHFFFAOYSA-N

Compound name

(3-piperidin-1-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 190.147 Da
Monoisotopic Mass: 1.7
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	143.8
[M+Na]+	213.136218	148.3
[M-H]-	189.139724	147.7
[M+NH4]+	208.180823	161.2
[M+K]+	229.110158	144.9
[M+H-H2O]+	173.144260	135.8
[M+HCOO]-	235.145201	163.7
[M+CH3COO]-	249.160851	184.9
[M+Na-2H]-	211.121666	148.7
[M]+	190.14645142	137.1
[M]-	190.14754858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe