CID 5381661

Barbituric acid, 5-(1-butenyl)-5-ethyl-

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CC/C=C/C1(C(=O)NC(=O)NC1=O)CC
InChI
InChI=1S/C10H14N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14,15)/b6-5+
InChIKey
PIHJKKFDZYSUTL-AATRIKPKSA-N
Compound name
5-[(E)-but-1-enyl]-5-ethyl-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

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.107726 146.2
[M+Na]+ 233.089668 154.1
[M-H]- 209.093174 144.2
[M+NH4]+ 228.134273 163.2
[M+K]+ 249.063608 150.1
[M+H-H2O]+ 193.097710 140.7
[M+HCOO]- 255.098651 161.8
[M+CH3COO]- 269.114301 180.9
[M+Na-2H]- 231.075116 149.2
[M]+ 210.09990142 142.5
[M]- 210.10099858 142.5
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.