CID 21942046

N-benzylpiperidin-3-amine

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

C1CC(CNC1)NCC2=CC=CC=C2

InChI

InChI=1S/C12H18N2/c1-2-5-11(6-3-1)9-14-12-7-4-8-13-10-12/h1-3,5-6,12-14H,4,7-10H2

InChIKey

ONMQJOUYBLBFBI-UHFFFAOYSA-N

Compound name

N-benzylpiperidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 86
Patents: 190.147 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]+	191.154276	143.2
[M+Na]+	213.136218	146.3
[M-H]-	189.139724	145.7
[M+NH4]+	208.180823	159.7
[M+K]+	229.110158	142.3
[M+H-H2O]+	173.144260	135.2
[M+HCOO]-	235.145201	162.2
[M+CH3COO]-	249.160851	181.9
[M+Na-2H]-	211.121666	149.4
[M]+	190.14645142	135.2
[M]-	190.14754858	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe