CID 33132

25651-43-8

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CCCOC(C)C1(C(=O)NC(=O)NC1=O)CC=C
InChI
InChI=1S/C12H18N2O4/c1-4-6-12(8(3)18-7-5-2)9(15)13-11(17)14-10(12)16/h4,8H,1,5-7H2,2-3H3,(H2,13,14,15,16,17)
InChIKey
FGXQCNBTDFFLPH-UHFFFAOYSA-N
Compound name
5-prop-2-enyl-5-(1-propoxyethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12666 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.133936 156.8
[M+Na]+ 277.115878 163.4
[M-H]- 253.119384 154.5
[M+NH4]+ 272.160483 171.8
[M+K]+ 293.089818 160.1
[M+H-H2O]+ 237.123920 151.0
[M+HCOO]- 299.124861 171.0
[M+CH3COO]- 313.140511 190.8
[M+Na-2H]- 275.101326 157.9
[M]+ 254.12611142 154.8
[M]- 254.12720858 154.8
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.