CID 4992130

31466-46-3

Structural Information

Molecular Formula

C₁₂H₁₈N₂

SMILES

C1CCN(C1)C(CN)C2=CC=CC=C2

InChI

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

InChIKey

DIFGFCHLYHBEMH-UHFFFAOYSA-N

Compound name

2-phenyl-2-pyrrolidin-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 39
Patents: 190.147 Da
Monoisotopic Mass: 1.3
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	144.4
[M+Na]+	213.136218	148.5
[M-H]-	189.139724	148.3
[M+NH4]+	208.180823	163.2
[M+K]+	229.110158	145.7
[M+H-H2O]+	173.144260	136.4
[M+HCOO]-	235.145201	165.4
[M+CH3COO]-	249.160851	184.3
[M+Na-2H]-	211.121666	147.1
[M]+	190.14645142	138.8
[M]-	190.14754858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe