CID 90116161

6-bromo-1,5-dimethylpyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula

C₆H₇BrN₂O₂

SMILES

CC1=C(N(C(=O)NC1=O)C)Br

InChI

InChI=1S/C6H7BrN2O2/c1-3-4(7)9(2)6(11)8-5(3)10/h1-2H3,(H,8,10,11)

InChIKey

LQXGGFUWLLKMFI-UHFFFAOYSA-N

Compound name

6-bromo-1,5-dimethylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 217.96909 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]+	218.97637	135.7
[M+Na]+	240.95831	140.2
[M+NH4]+	236.00291	139.1
[M+K]+	256.93225	141.1
[M-H]-	216.96181	134.4
[M+Na-2H]-	238.94376	138.3
[M]+	217.96854	134.6
[M]-	217.96964	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe