CID 60860968

2731009-65-5

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂

SMILES

C1CN(CCC1N)C2=CC=CC=C2Cl

InChI

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

InChIKey

CCKGRVQBGOKFJU-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 210.09238 Da
Monoisotopic Mass: 2.3
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]+	211.099656	146.6
[M+Na]+	233.081598	153.2
[M-H]-	209.085104	150.7
[M+NH4]+	228.126203	164.3
[M+K]+	249.055538	148.2
[M+H-H2O]+	193.089640	139.5
[M+HCOO]-	255.090581	162.1
[M+CH3COO]-	269.106231	158.2
[M+Na-2H]-	231.067046	150.6
[M]+	210.09183142	141.9
[M]-	210.09292858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe