CID 16414227

73406-97-0

Structural Information

Molecular Formula

C₉H₁₂BrN₃

SMILES

C1CN(CCN1)C2=NC=C(C=C2)Br

InChI

InChI=1S/C9H12BrN3/c10-8-1-2-9(12-7-8)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2

InChIKey

UBJBNGGYLBVCJF-UHFFFAOYSA-N

Compound name

1-(5-bromopyridin-2-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 278
Patents: 241.02145 Da
Monoisotopic Mass: 1.3
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]+	242.02873	147.5
[M+Na]+	264.01067	151.1
[M+NH4]+	259.05527	152.0
[M+K]+	279.98461	150.4
[M-H]-	240.01417	148.3
[M+Na-2H]-	261.99612	151.8
[M]+	241.02090	146.9
[M]-	241.02200	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe