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]+ 211.10773 147.9
[M+Na]+ 233.08967 157.9
[M+NH4]+ 228.13427 154.2
[M+K]+ 249.06361 152.2
[M-H]- 209.09317 145.9
[M+Na-2H]- 231.07512 150.7
[M]+ 210.09990 148.4
[M]- 210.10100 148.4
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.