CID 43146557

1094218-30-0

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

C1CC(C1)(C2=CC=C(C=C2)Br)N

InChI

InChI=1S/C10H12BrN/c11-9-4-2-8(3-5-9)10(12)6-1-7-10/h2-5H,1,6-7,12H2

InChIKey

JAINAWVWUDTCFK-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 225.0153 Da
Monoisotopic Mass: 2.2
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]+	226.022576	135.1
[M+Na]+	248.004518	144.6
[M-H]-	224.008024	143.8
[M+NH4]+	243.049123	152.1
[M+K]+	263.978458	136.4
[M+H-H2O]+	208.012560	130.9
[M+HCOO]-	270.013501	155.7
[M+CH3COO]-	284.029151	190.6
[M+Na-2H]-	245.989966	143.3
[M]+	225.01475142	158.0
[M]-	225.01584858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe