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]+ 209.09208 148.0
[M+Na]+ 231.07402 157.1
[M+NH4]+ 226.11862 153.6
[M+K]+ 247.04796 151.3
[M-H]- 207.07752 145.1
[M+Na-2H]- 229.05947 150.2
[M]+ 208.08425 148.0
[M]- 208.08535 148.0
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.