CID 952394

2445786-59-2

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂

SMILES

C1CCN(CC1)C2=C(C=CC=C2Cl)N

InChI

InChI=1S/C11H15ClN2/c12-9-5-4-6-10(13)11(9)14-7-2-1-3-8-14/h4-6H,1-3,7-8,13H2

InChIKey

QKXQIYIXTYLFFD-UHFFFAOYSA-N

Compound name

3-chloro-2-piperidin-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 210.09238 Da
Monoisotopic Mass: 2.8
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	146.6
[M+Na]+	233.08160	153.2
[M-H]-	209.08510	150.7
[M+NH4]+	228.12620	164.3
[M+K]+	249.05554	148.2
[M+H-H2O]+	193.08964	139.5
[M+HCOO]-	255.09058	162.1
[M+CH3COO]-	269.10623	158.2
[M+Na-2H]-	231.06705	150.6
[M]+	210.09183	141.9
[M]-	210.09293	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe