CID 124491

1-amino-5-bromouracil

Structural Information

Molecular Formula

C₄H₄BrN₃O₂

SMILES

C1=C(C(=O)NC(=O)N1N)Br

InChI

InChI=1S/C4H4BrN3O2/c5-2-1-8(6)4(10)7-3(2)9/h1H,6H2,(H,7,9,10)

InChIKey

IUPKMXPUMPJRDV-UHFFFAOYSA-N

Compound name

1-amino-5-bromopyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 56
Patents: 204.94868 Da
Monoisotopic Mass: -0.6
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]+	205.955956	126.3
[M+Na]+	227.937898	140.5
[M-H]-	203.941404	129.4
[M+NH4]+	222.982503	145.6
[M+K]+	243.911838	128.5
[M+H-H2O]+	187.945940	125.5
[M+HCOO]-	249.946881	147.0
[M+CH3COO]-	263.962531	180.0
[M+Na-2H]-	225.923346	134.9
[M]+	204.94813142	143.0
[M]-	204.94922858	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe