CID 66716283

1226033-55-1

Structural Information

Molecular Formula

C₁₂H₁₇ClN₂

SMILES

C1CC(CNC1)CNC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H17ClN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h3-6,10,14-15H,1-2,7-9H2

InChIKey

ACBSRUFZFPGOQI-UHFFFAOYSA-N

Compound name

4-chloro-N-(piperidin-3-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 224.10803 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]+	225.11531	150.4
[M+Na]+	247.09725	155.2
[M-H]-	223.10075	153.0
[M+NH4]+	242.14185	166.7
[M+K]+	263.07119	149.4
[M+H-H2O]+	207.10529	143.1
[M+HCOO]-	269.10623	164.7
[M+CH3COO]-	283.12188	160.7
[M+Na-2H]-	245.08270	155.2
[M]+	224.10748	144.8
[M]-	224.10858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe