CID 17999158

915690-61-8

Structural Information

Molecular Formula

C₁₁H₁₄BrN

SMILES

C1CC(C1)(CN)C2=CC(=CC=C2)Br

InChI

InChI=1S/C11H14BrN/c12-10-4-1-3-9(7-10)11(8-13)5-2-6-11/h1,3-4,7H,2,5-6,8,13H2

InChIKey

KNGDQEVWRCWFDK-UHFFFAOYSA-N

Compound name

[1-(3-bromophenyl)cyclobutyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 239.03096 Da
Monoisotopic Mass: 2.8
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]+	240.03824	145.8
[M+Na]+	262.02018	145.2
[M+NH4]+	257.06478	149.5
[M+K]+	277.99412	144.3
[M-H]-	238.02368	146.4
[M+Na-2H]-	260.00563	149.6
[M]+	239.03041	143.9
[M]-	239.03151	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe