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]+ 201.086986 142.4
[M+Na]+ 223.068928 150.3
[M-H]- 199.072434 139.3
[M+NH4]+ 218.113533 159.0
[M+K]+ 239.042868 147.0
[M+H-H2O]+ 183.076970 137.2
[M+HCOO]- 245.077911 157.2
[M+CH3COO]- 259.093561 176.3
[M+Na-2H]- 221.054376 146.0
[M]+ 200.07916142 138.4
[M]- 200.08025858 138.4
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.