CID 49305

5-isopropenyl-5-methylbarbituric acid

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CC(=C)C1(C(=O)NC(=O)NC1=O)C
InChI
InChI=1S/C8H10N2O3/c1-4(2)8(3)5(11)9-7(13)10-6(8)12/h1H2,2-3H3,(H2,9,10,11,12,13)
InChIKey
BHCOBDVPTWTVBT-UHFFFAOYSA-N
Compound name
5-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

0
Patents

182.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 140.2
[M+Na]+ 205.05836 149.6
[M+NH4]+ 200.10296 146.4
[M+K]+ 221.03230 144.4
[M-H]- 181.06186 137.6
[M+Na-2H]- 203.04381 143.0
[M]+ 182.06859 140.4
[M]- 182.06969 140.4
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.