CID 95239

Barbituric acid, 5-ethyl-5-(2-hydroxyethyl)-

Structural Information

Molecular Formula
C8H12N2O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)CCO
InChI
InChI=1S/C8H12N2O4/c1-2-8(3-4-11)5(12)9-7(14)10-6(8)13/h11H,2-4H2,1H3,(H2,9,10,12,13,14)
InChIKey
YMTYASPTCHULMT-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.07971 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08699 144.3
[M+Na]+ 223.06893 153.0
[M+NH4]+ 218.11353 150.0
[M+K]+ 239.04287 147.9
[M-H]- 199.07243 141.1
[M+Na-2H]- 221.05438 146.5
[M]+ 200.07916 144.1
[M]- 200.08026 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.