CID 4719977

1158780-91-6

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

C1CC1NCC2=CC=C(C=C2)Br

InChI

InChI=1S/C10H12BrN/c11-9-3-1-8(2-4-9)7-12-10-5-6-10/h1-4,10,12H,5-7H2

InChIKey

GLGKPGNDJXTNEF-UHFFFAOYSA-N

Compound name

N-[(4-bromophenyl)methyl]cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 225.0153 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]+	226.02258	140.1
[M+Na]+	248.00452	152.2
[M-H]-	224.00802	150.0
[M+NH4]+	243.04912	157.2
[M+K]+	263.97846	140.5
[M+H-H2O]+	208.01256	139.1
[M+HCOO]-	270.01350	163.4
[M+CH3COO]-	284.02915	191.9
[M+Na-2H]-	245.98997	148.8
[M]+	225.01475	158.8
[M]-	225.01585	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe