CID 415852

4-amino-1-benzylpiperidine

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

C1CN(CCC1N)CC2=CC=CC=C2

InChI

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

InChIKey

YUBDLZGUSSWQSS-UHFFFAOYSA-N

Compound name

1-benzylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 5500
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]+	191.15428	144.7
[M+Na]+	213.13622	156.9
[M+NH4]+	208.18082	154.1
[M+K]+	229.11016	149.2
[M-H]-	189.13972	149.6
[M+Na-2H]-	211.12167	152.8
[M]+	190.14645	147.7
[M]-	190.14755	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe