CID 43345658

2742659-96-5

Structural Information

Molecular Formula

C₁₁H₁₄BrN

SMILES

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

InChI

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

InChIKey

LOLPDEFCBXDDEC-UHFFFAOYSA-N

Compound name

1-(3-bromophenyl)cyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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]+	240.038236	148.8
[M+Na]+	262.020178	158.8
[M-H]-	238.023684	157.4
[M+NH4]+	257.064783	172.9
[M+K]+	277.994118	147.2
[M+H-H2O]+	222.028220	149.0
[M+HCOO]-	284.029161	170.0
[M+CH3COO]-	298.044811	163.4
[M+Na-2H]-	260.005626	154.4
[M]+	239.03041142	162.7
[M]-	239.03150858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe