CID 257087

1-ethyl-1,3-diazinane-2,4,6-trione

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CCN1C(=O)CC(=O)NC1=O
InChI
InChI=1S/C6H8N2O3/c1-2-8-5(10)3-4(9)7-6(8)11/h2-3H2,1H3,(H,7,9,11)
InChIKey
SGKUPLCQYHQBTN-UHFFFAOYSA-N
Compound name
1-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

156.0535 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.060776 130.0
[M+Na]+ 179.042718 138.8
[M-H]- 155.046224 129.7
[M+NH4]+ 174.087323 147.9
[M+K]+ 195.016658 136.9
[M+H-H2O]+ 139.050760 123.9
[M+HCOO]- 201.051701 148.3
[M+CH3COO]- 215.067351 173.2
[M+Na-2H]- 177.028166 134.2
[M]+ 156.05295142 127.1
[M]- 156.05404858 127.1
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

patents stripe