CID 181667

1-propylimidazolidine-2,4,5-trione

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CCCN1C(=O)C(=O)NC1=O
InChI
InChI=1S/C6H8N2O3/c1-2-3-8-5(10)4(9)7-6(8)11/h2-3H2,1H3,(H,7,9,11)
InChIKey
GKVHQVPTNDPZBS-UHFFFAOYSA-N
Compound name
1-propylimidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

156.0535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.060776 129.7
[M+Na]+ 179.042718 139.3
[M-H]- 155.046224 129.7
[M+NH4]+ 174.087323 149.4
[M+K]+ 195.016658 137.4
[M+H-H2O]+ 139.050760 123.9
[M+HCOO]- 201.051701 150.1
[M+CH3COO]- 215.067351 172.9
[M+Na-2H]- 177.028166 132.6
[M]+ 156.05295142 128.8
[M]- 156.05404858 128.8
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

patents stripe