CID 5381660

Barbituric acid, 5-isopropyl-5-(1-propenyl)-

Structural Information

Molecular Formula
C10H14N2O3
SMILES
C/C=C/C1(C(=O)NC(=O)NC1=O)C(C)C
InChI
InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4-6H,1-3H3,(H2,11,12,13,14,15)/b5-4+
InChIKey
RJJSCIXMNXYONU-SNAWJCMRSA-N
Compound name
5-propan-2-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

210.10045 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 145.9
[M+Na]+ 233.08967 153.6
[M-H]- 209.09317 144.0
[M+NH4]+ 228.13427 162.9
[M+K]+ 249.06361 150.1
[M+H-H2O]+ 193.09771 140.6
[M+HCOO]- 255.09865 160.6
[M+CH3COO]- 269.11430 181.9
[M+Na-2H]- 231.07512 147.8
[M]+ 210.09990 141.5
[M]- 210.10100 141.5
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.