CID 48772

Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl-

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C)C(=C)C
InChI
InChI=1S/C10H14N2O3/c1-5-10(6(2)3)7(13)11-9(15)12(4)8(10)14/h2,5H2,1,3-4H3,(H,11,13,15)
InChIKey
FULFMHFZPUOSSW-UHFFFAOYSA-N
Compound name
5-ethyl-1-methyl-5-prop-1-en-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.10045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.107726 142.9
[M+Na]+ 233.089668 151.9
[M-H]- 209.093174 142.9
[M+NH4]+ 228.134273 160.9
[M+K]+ 249.063608 149.4
[M+H-H2O]+ 193.097710 137.8
[M+HCOO]- 255.098651 159.2
[M+CH3COO]- 269.114301 186.2
[M+Na-2H]- 231.075116 144.9
[M]+ 210.09990142 141.0
[M]- 210.10099858 141.0
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.