CID 48771

5-ethyl-5-isopropenylbarbituric acid

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)C(=C)C
InChI
InChI=1S/C9H12N2O3/c1-4-9(5(2)3)6(12)10-8(14)11-7(9)13/h2,4H2,1,3H3,(H2,10,11,12,13,14)
InChIKey
ARCGEFUZGYBIFB-UHFFFAOYSA-N
Compound name
5-ethyl-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

2
Patents

196.0848 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 144.5
[M+Na]+ 219.07402 153.7
[M+NH4]+ 214.11862 150.5
[M+K]+ 235.04796 148.3
[M-H]- 195.07752 141.9
[M+Na-2H]- 217.05947 147.0
[M]+ 196.08425 144.6
[M]- 196.08535 144.6
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.