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 141.2
[M+Na]+ 219.07402 149.3
[M-H]- 195.07752 139.5
[M+NH4]+ 214.11862 158.7
[M+K]+ 235.04796 146.0
[M+H-H2O]+ 179.08206 136.1
[M+HCOO]- 241.08300 156.2
[M+CH3COO]- 255.09865 179.5
[M+Na-2H]- 217.05947 143.6
[M]+ 196.08425 136.6
[M]- 196.08535 136.6
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.