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 145.5
[M+Na]+ 237.08457 153.3
[M-H]- 213.08807 143.6
[M+NH4]+ 232.12917 162.2
[M+K]+ 253.05851 150.7
[M+H-H2O]+ 197.09261 139.8
[M+HCOO]- 259.09355 161.4
[M+CH3COO]- 273.10920 181.6
[M+Na-2H]- 235.07002 149.1
[M]+ 214.09480 143.6
[M]- 214.09590 143.6
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.