CID 48549

Barbituric acid, 5-allyl-5-isopropenyl-

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CC(=C)C1(C(=O)NC(=O)NC1=O)CC=C
InChI
InChI=1S/C10H12N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4H,1-2,5H2,3H3,(H2,11,12,13,14,15)
InChIKey
URUUDFPSEYORGM-UHFFFAOYSA-N
Compound name
5-prop-1-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.0848 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 144.1
[M+Na]+ 231.074018 152.0
[M-H]- 207.077524 142.2
[M+NH4]+ 226.118623 161.0
[M+K]+ 247.047958 147.9
[M+H-H2O]+ 191.082060 138.9
[M+HCOO]- 253.083001 158.9
[M+CH3COO]- 267.098651 181.7
[M+Na-2H]- 229.059466 146.1
[M]+ 208.08425142 139.1
[M]- 208.08534858 139.1
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.