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]+ 201.08699 141.1
[M+Na]+ 223.06893 149.4
[M-H]- 199.07243 139.4
[M+NH4]+ 218.11353 158.5
[M+K]+ 239.04287 147.0
[M+H-H2O]+ 183.07697 135.7
[M+HCOO]- 245.07791 157.4
[M+CH3COO]- 259.09356 178.6
[M+Na-2H]- 221.05438 145.3
[M]+ 200.07916 138.9
[M]- 200.08026 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.