CID 12629240

21428-17-1

Structural Information

Molecular Formula

C₆H₇BrN₂O₂

SMILES

CN1C(=CC(=O)N(C1=O)C)Br

InChI

InChI=1S/C6H7BrN2O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,1-2H3

InChIKey

XXZGZBJOMBOIJK-UHFFFAOYSA-N

Compound name

6-bromo-1,3-dimethylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.96909 Da
Monoisotopic Mass: 0.3
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]+	218.97637	134.6
[M+Na]+	240.95831	139.5
[M+NH4]+	236.00291	138.3
[M+K]+	256.93225	140.2
[M-H]-	216.96181	133.7
[M+Na-2H]-	238.94376	137.8
[M]+	217.96854	133.8
[M]-	217.96964	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe