CID 16414206

364794-58-1

Structural Information

Molecular Formula

C₁₀H₁₄BrN₃

SMILES

CN1CCN(CC1)C2=NC=C(C=C2)Br

InChI

InChI=1S/C10H14BrN3/c1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10/h2-3,8H,4-7H2,1H3

InChIKey

QMRHAZARKSZMCF-UHFFFAOYSA-N

Compound name

1-(5-bromopyridin-2-yl)-4-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 193
Patents: 255.03711 Da
Monoisotopic Mass: 1.8
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]+	256.04439	150.7
[M+Na]+	278.02633	154.9
[M+NH4]+	273.07093	155.4
[M+K]+	294.00027	153.9
[M-H]-	254.02983	152.0
[M+Na-2H]-	276.01178	155.1
[M]+	255.03656	150.5
[M]-	255.03766	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe