CID 13135186

Schembl5933777

Structural Information

Molecular Formula
C9H13BrN2O2
SMILES
CCC(C)N1C(=O)C(C(=NC1=O)C)Br
InChI
InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5,7H,4H2,1-3H3
InChIKey
OSOBMCTWSONQHC-UHFFFAOYSA-N
Compound name
5-bromo-3-butan-2-yl-6-methyl-5H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

260.01605 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.023326 145.6
[M+Na]+ 283.005268 158.0
[M-H]- 259.008774 149.7
[M+NH4]+ 278.049873 164.3
[M+K]+ 298.979208 147.4
[M+H-H2O]+ 243.013310 145.0
[M+HCOO]- 305.014251 162.3
[M+CH3COO]- 319.029901 195.0
[M+Na-2H]- 280.990716 149.4
[M]+ 260.01550142 164.7
[M]- 260.01659858 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.