CID 45157074

2742656-10-4

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂

SMILES

C1CN(CCC1N)C2=CC(=CC=C2)Cl

InChI

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

InChIKey

VZIXOVBFQLIMME-UHFFFAOYSA-N

Compound name

1-(3-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]+	211.09966	145.4
[M+Na]+	233.08160	159.1
[M+NH4]+	228.12620	155.2
[M+K]+	249.05554	151.0
[M-H]-	209.08510	150.4
[M+Na-2H]-	231.06705	153.7
[M]+	210.09183	149.1
[M]-	210.09293	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe