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 137.2
[M+Na]+ 205.05836 145.9
[M-H]- 181.06186 135.6
[M+NH4]+ 200.10296 155.3
[M+K]+ 221.03230 142.3
[M+H-H2O]+ 165.06640 132.0
[M+HCOO]- 227.06734 153.5
[M+CH3COO]- 241.08299 175.5
[M+Na-2H]- 203.04381 141.3
[M]+ 182.06859 132.8
[M]- 182.06969 132.8
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.