CID 49289

5-ethyl-5-vinylbarbituric acid

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)C=C
InChI
InChI=1S/C8H10N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3H,1,4H2,2H3,(H2,9,10,11,12,13)
InChIKey
JGPYBHBUCAHEJK-UHFFFAOYSA-N
Compound name
5-ethenyl-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 140.4
[M+Na]+ 205.05836 150.2
[M+NH4]+ 200.10296 146.7
[M+K]+ 221.03230 144.1
[M-H]- 181.06186 138.0
[M+Na-2H]- 203.04381 143.5
[M]+ 182.06859 140.7
[M]- 182.06969 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.