CID 49264

67050-96-8

Structural Information

Molecular Formula
C10H16N2O4
SMILES
CCCOCC1(C(=O)NC(=O)NC1=O)CC
InChI
InChI=1S/C10H16N2O4/c1-3-5-16-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKey
KHOJYDGIAOWDKO-UHFFFAOYSA-N
Compound name
5-ethyl-5-(propoxymethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.11101 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.118286 149.8
[M+Na]+ 251.100228 157.2
[M-H]- 227.103734 147.7
[M+NH4]+ 246.144833 166.0
[M+K]+ 267.074168 154.4
[M+H-H2O]+ 211.108270 144.0
[M+HCOO]- 273.109211 165.4
[M+CH3COO]- 287.124861 184.6
[M+Na-2H]- 249.085676 153.0
[M]+ 228.11046142 148.3
[M]- 228.11155858 148.3
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.