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 144.1
[M+Na]+ 231.07402 152.0
[M-H]- 207.07752 142.2
[M+NH4]+ 226.11862 161.0
[M+K]+ 247.04796 147.9
[M+H-H2O]+ 191.08206 138.9
[M+HCOO]- 253.08300 158.9
[M+CH3COO]- 267.09865 181.7
[M+Na-2H]- 229.05947 146.1
[M]+ 208.08425 139.1
[M]- 208.08535 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.