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

5
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	147.8
[M+Na]+	232.08634	154.0
[M-H]-	208.08984	153.6
[M+NH4]+	227.13094	168.7
[M+K]+	248.06028	149.0
[M+H-H2O]+	192.09438	141.6
[M+HCOO]-	254.09532	167.0
[M+CH3COO]-	268.11097	186.4
[M+Na-2H]-	230.07179	151.3
[M]+	209.09657	145.7
[M]-	209.09767	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe