CID 81494

7033-39-8

Structural Information

Molecular Formula
C6H7BrN2O2
SMILES
CN1C=C(C(=O)N(C1=O)C)Br
InChI
InChI=1S/C6H7BrN2O2/c1-8-3-4(7)5(10)9(2)6(8)11/h3H,1-2H3
InChIKey
QITOSXPGCRFMDG-UHFFFAOYSA-N
Compound name
5-bromo-1,3-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

170
Patents

217.96909 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.97637 128.2
[M+Na]+ 240.95831 143.9
[M-H]- 216.96181 133.4
[M+NH4]+ 236.00291 148.8
[M+K]+ 256.93225 133.3
[M+H-H2O]+ 200.96635 128.1
[M+HCOO]- 262.96729 149.5
[M+CH3COO]- 276.98294 185.2
[M+Na-2H]- 238.94376 136.6
[M]+ 217.96854 149.6
[M]- 217.96964 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe