CID 48782

66968-68-1

Structural Information

Molecular Formula
C8H12N2O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)COC
InChI
InChI=1S/C8H12N2O4/c1-3-8(4-14-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKey
POJHSILFNQHBRV-UHFFFAOYSA-N
Compound name
5-ethyl-5-(methoxymethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.07971 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.086986 141.1
[M+Na]+ 223.068928 149.4
[M-H]- 199.072434 139.4
[M+NH4]+ 218.113533 158.5
[M+K]+ 239.042868 147.0
[M+H-H2O]+ 183.076970 135.7
[M+HCOO]- 245.077911 157.4
[M+CH3COO]- 259.093561 178.6
[M+Na-2H]- 221.054376 145.3
[M]+ 200.07916142 138.9
[M]- 200.08025858 138.9
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.