CID 84801514

2411263-70-0

Structural Information

Molecular Formula

C₁₀H₁₂BrNO

SMILES

COC1=C(C=CC(=C1)C2(CC2)N)Br

InChI

InChI=1S/C10H12BrNO/c1-13-9-6-7(2-3-8(9)11)10(12)4-5-10/h2-3,6H,4-5,12H2,1H3

InChIKey

BYFAZJJWNGPXFL-UHFFFAOYSA-N

Compound name

1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.01022 Da
Monoisotopic Mass: 1.8
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]+	242.017496	143.0
[M+Na]+	263.999438	156.4
[M-H]-	240.002944	153.0
[M+NH4]+	259.044043	161.3
[M+K]+	279.973378	145.4
[M+H-H2O]+	224.007480	143.1
[M+HCOO]-	286.008421	165.4
[M+CH3COO]-	300.024071	193.6
[M+Na-2H]-	261.984886	150.9
[M]+	241.00967142	163.1
[M]-	241.01076858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.