CID 2776509

2-piperidinobenzylamine

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

C1CCN(CC1)C2=CC=CC=C2CN

InChI

InChI=1S/C12H18N2/c13-10-11-6-2-3-7-12(11)14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10,13H2

InChIKey

VNNYEXSABSADDW-UHFFFAOYSA-N

Compound name

(2-piperidin-1-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
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]+	191.15428	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

No literature data available for this compound.

Patent stripe

patents stripe