CID 2757175

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

Structural Information

Molecular Formula

C₈H₁₁BrN₄

SMILES

C1CN(CCN1)C2=NC=C(C=N2)Br

InChI

InChI=1S/C8H11BrN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2

InChIKey

YHWLBBPOKRHVAR-UHFFFAOYSA-N

Compound name

5-bromo-2-piperazin-1-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 252
Patents: 242.01671 Da
Monoisotopic Mass: 0.7
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]+	243.02399	143.9
[M+Na]+	265.00593	153.6
[M-H]-	241.00943	146.0
[M+NH4]+	260.05053	158.9
[M+K]+	280.97987	141.8
[M+H-H2O]+	225.01397	141.7
[M+HCOO]-	287.01491	157.3
[M+CH3COO]-	301.03056	156.1
[M+Na-2H]-	262.99138	152.2
[M]+	242.01616	156.4
[M]-	242.01726	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe