CID 6434933

Barbituric acid, 5-(2-cyclopentenyl)-5-propenyl-

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C/C=C/C1(C(=O)NC(=O)NC1=O)C2CCC=C2
InChI
InChI=1S/C12H14N2O3/c1-2-7-12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h2-3,5,7-8H,4,6H2,1H3,(H2,13,14,15,16,17)/b7-2+
InChIKey
WTWZHYLAPCTVTF-FARCUNLSSA-N
Compound name
5-cyclopent-2-en-1-yl-5-[(E)-prop-1-enyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 153.0
[M+Na]+ 257.089668 160.2
[M-H]- 233.093174 154.1
[M+NH4]+ 252.134273 170.3
[M+K]+ 273.063608 155.3
[M+H-H2O]+ 217.097710 146.5
[M+HCOO]- 279.098651 168.7
[M+CH3COO]- 293.114301 183.0
[M+Na-2H]- 255.075116 153.8
[M]+ 234.09990142 146.7
[M]- 234.10099858 146.7
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.