CID 97725878

1-(5-bromopyridin-2-yl)cyclopentan-1-amine

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂

SMILES

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

InChI

InChI=1S/C10H13BrN2/c11-8-3-4-9(13-7-8)10(12)5-1-2-6-10/h3-4,7H,1-2,5-6,12H2

InChIKey

ROUXMWNZNHQVPQ-UHFFFAOYSA-N

Compound name

1-(5-bromo-2-pyridinyl)cyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.02621 Da
Monoisotopic Mass: 1.5
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]+	241.033486	146.3
[M+Na]+	263.015428	156.7
[M-H]-	239.018934	153.7
[M+NH4]+	258.060033	169.2
[M+K]+	278.989368	145.4
[M+H-H2O]+	223.023470	145.8
[M+HCOO]-	285.024411	166.8
[M+CH3COO]-	299.040061	160.8
[M+Na-2H]-	261.000876	152.6
[M]+	240.02566142	160.5
[M]-	240.02675858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.