CID 40150253

1172462-36-0

Structural Information

Molecular Formula

C₁₁H₁₄BrN

SMILES

C1CCC(C1)(C2=CC=C(C=C2)Br)N

InChI

InChI=1S/C11H14BrN/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11/h3-6H,1-2,7-8,13H2

InChIKey

KANRSDUCSFJYII-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)cyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 239.03096 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]+	240.03824	151.6
[M+Na]+	262.02018	153.6
[M+NH4]+	257.06478	158.7
[M+K]+	277.99412	152.3
[M-H]-	238.02368	154.4
[M+Na-2H]-	260.00563	156.6
[M]+	239.03041	151.6
[M]-	239.03151	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe