CID 90288612

3-bromo-5-(pyrrolidin-1-yl)pyridazine

Structural Information

Molecular Formula

C₈H₁₀BrN₃

SMILES

C1CCN(C1)C2=CC(=NN=C2)Br

InChI

InChI=1S/C8H10BrN3/c9-8-5-7(6-10-11-8)12-3-1-2-4-12/h5-6H,1-4H2

InChIKey

HBLOQWNGZRELPN-UHFFFAOYSA-N

Compound name

3-bromo-5-pyrrolidin-1-ylpyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 227.00581 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]+	228.013086	140.5
[M+Na]+	249.995028	151.9
[M-H]-	225.998534	145.8
[M+NH4]+	245.039633	160.1
[M+K]+	265.968968	141.5
[M+H-H2O]+	210.003070	138.9
[M+HCOO]-	272.004011	158.9
[M+CH3COO]-	286.019661	154.9
[M+Na-2H]-	247.980476	147.5
[M]+	227.00526142	156.4
[M]-	227.00635858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe