CID 4719970

N-[(4-chlorophenyl)methyl]cyclopropanamine

Structural Information

Molecular Formula

C₁₀H₁₂ClN

SMILES

C1CC1NCC2=CC=C(C=C2)Cl

InChI

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

InChIKey

RVXJABFVIDLTSI-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
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]+	182.07311	132.8
[M+Na]+	204.05505	142.3
[M-H]-	180.05855	140.1
[M+NH4]+	199.09965	148.6
[M+K]+	220.02899	137.6
[M+H-H2O]+	164.06309	126.9
[M+HCOO]-	226.06403	154.2
[M+CH3COO]-	240.07968	185.9
[M+Na-2H]-	202.04050	140.3
[M]+	181.06528	135.7
[M]-	181.06638	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe