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: 2
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]+	218.976366	128.2
[M+Na]+	240.958308	143.9
[M-H]-	216.961814	133.4
[M+NH4]+	236.002913	148.8
[M+K]+	256.932248	133.3
[M+H-H2O]+	200.966350	128.1
[M+HCOO]-	262.967291	149.5
[M+CH3COO]-	276.982941	185.2
[M+Na-2H]-	238.943756	136.6
[M]+	217.96854142	149.6
[M]-	217.96963858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe