CID 834083

66063-15-8

Structural Information

Molecular Formula

C₁₂H₁₆ClN

SMILES

C1CCC(C1)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2

InChIKey

XIXHUNCZQIRQOG-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]cyclopentanamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 19
Patents: 209.09712 Da
Monoisotopic Mass: 3.2
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]+	210.10440	146.6
[M+Na]+	232.08634	159.1
[M+NH4]+	227.13094	157.0
[M+K]+	248.06028	152.1
[M-H]-	208.08984	151.8
[M+Na-2H]-	230.07179	154.7
[M]+	209.09657	150.1
[M]-	209.09767	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe