CID 48482

66941-27-3

Structural Information

Molecular Formula
C9H14N2O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)COCC
InChI
InChI=1S/C9H14N2O4/c1-3-9(5-15-4-2)6(12)10-8(14)11-7(9)13/h3-5H2,1-2H3,(H2,10,11,12,13,14)
InChIKey
JJFVSCBKCCIORQ-UHFFFAOYSA-N
Compound name
5-(ethoxymethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.09535 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10263 148.2
[M+Na]+ 237.08457 157.2
[M+NH4]+ 232.12917 154.1
[M+K]+ 253.05851 151.6
[M-H]- 213.08807 145.5
[M+Na-2H]- 235.07002 150.8
[M]+ 214.09480 148.3
[M]- 214.09590 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.