CID 834606

1184999-03-8

Structural Information

Molecular Formula

C₁₀H₁₂ClN

SMILES

C1CC1NCC2=CC=CC=C2Cl

InChI

InChI=1S/C10H12ClN/c11-10-4-2-1-3-8(10)7-12-9-5-6-9/h1-4,9,12H,5-7H2

InChIKey

GCJYLAWVUWEHLW-UHFFFAOYSA-N

Compound name

N-[(2-chlorophenyl)methyl]cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 181.06583 Da
Monoisotopic Mass: 2.5
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]+	182.073106	132.8
[M+Na]+	204.055048	142.3
[M-H]-	180.058554	140.1
[M+NH4]+	199.099653	148.6
[M+K]+	220.028988	137.6
[M+H-H2O]+	164.063090	126.9
[M+HCOO]-	226.064031	154.2
[M+CH3COO]-	240.079681	185.9
[M+Na-2H]-	202.040496	140.3
[M]+	181.06528142	135.7
[M]-	181.06637858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe