CID 4719898

N-[(3,4-dichlorophenyl)methyl]cyclopropanamine

Structural Information

Molecular Formula

C₁₀H₁₁Cl₂N

SMILES

C1CC1NCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C10H11Cl2N/c11-9-4-1-7(5-10(9)12)6-13-8-2-3-8/h1,4-5,8,13H,2-3,6H2

InChIKey

ARVDJBARMJFVNT-UHFFFAOYSA-N

Compound name

N-[(3,4-dichlorophenyl)methyl]cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 215.02686 Da
Monoisotopic Mass: 3.5
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]+	216.034136	137.7
[M+Na]+	238.016078	148.0
[M-H]-	214.019584	144.2
[M+NH4]+	233.060683	152.7
[M+K]+	253.990018	142.0
[M+H-H2O]+	198.024120	132.5
[M+HCOO]-	260.025061	153.9
[M+CH3COO]-	274.040711	191.4
[M+Na-2H]-	236.001526	143.6
[M]+	215.02631142	141.8
[M]-	215.02740858	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe