CID 130545552

2135587-14-1

Structural Information

Molecular Formula

C₈H₁₀BrN₃

SMILES

C1CC(C1)(C2=NC=C(C=N2)Br)N

InChI

InChI=1S/C8H10BrN3/c9-6-4-11-7(12-5-6)8(10)2-1-3-8/h4-5H,1-3,10H2

InChIKey

VUHAESANUFLXLM-UHFFFAOYSA-N

Compound name

1-(5-bromopyrimidin-2-yl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 227.00581 Da
Monoisotopic Mass: 0.5
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	132.4
[M+Na]+	249.995028	142.7
[M-H]-	225.998534	138.6
[M+NH4]+	245.039633	147.0
[M+K]+	265.968968	134.8
[M+H-H2O]+	210.003070	126.9
[M+HCOO]-	272.004011	151.4
[M+CH3COO]-	286.019661	190.0
[M+Na-2H]-	247.980476	142.0
[M]+	227.00526142	155.8
[M]-	227.00635858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe