CID 1526966

6-hydroxy-3-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C8H12N2O3
SMILES
CC(C)CN1C(=CC(=O)NC1=O)O
InChI
InChI=1S/C8H12N2O3/c1-5(2)4-10-7(12)3-6(11)9-8(10)13/h3,5,12H,4H2,1-2H3,(H,9,11,13)
InChIKey
OKEHPSURMGPEGE-UHFFFAOYSA-N
Compound name
6-hydroxy-1-(2-methylpropyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.0848 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.092076 136.6
[M+Na]+ 207.074018 146.6
[M-H]- 183.077524 135.8
[M+NH4]+ 202.118623 153.0
[M+K]+ 223.047958 143.7
[M+H-H2O]+ 167.082060 130.3
[M+HCOO]- 229.083001 155.9
[M+CH3COO]- 243.098651 177.6
[M+Na-2H]- 205.059466 141.0
[M]+ 184.08425142 136.9
[M]- 184.08534858 136.9
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

patents stripe