CID 24275301

1017417-73-0

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂

SMILES

C1CN(CC1CN)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H15ClN2/c12-10-1-3-11(4-2-10)14-6-5-9(7-13)8-14/h1-4,9H,5-8,13H2

InChIKey

GEOXMKVDLWJCQJ-UHFFFAOYSA-N

Compound name

[1-(4-chlorophenyl)pyrrolidin-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 210.09238 Da
Monoisotopic Mass: 2.1
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]+	211.099656	147.4
[M+Na]+	233.081598	155.0
[M-H]-	209.085104	151.8
[M+NH4]+	228.126203	167.0
[M+K]+	249.055538	149.9
[M+H-H2O]+	193.089640	140.5
[M+HCOO]-	255.090581	165.0
[M+CH3COO]-	269.106231	186.4
[M+Na-2H]-	231.067046	149.8
[M]+	210.09183142	144.8
[M]-	210.09292858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe