CID 48552

66941-75-1

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC(C=C)C1(C(=O)NC(=O)NC1=O)CC=C
InChI
InChI=1S/C11H14N2O3/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h4-5,7H,1-2,6H2,3H3,(H2,12,13,14,15,16)
InChIKey
JXXNCMHCJAQCAP-UHFFFAOYSA-N
Compound name
5-but-3-en-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.107726 148.4
[M+Na]+ 245.089668 155.9
[M-H]- 221.093174 146.4
[M+NH4]+ 240.134273 164.8
[M+K]+ 261.063608 151.6
[M+H-H2O]+ 205.097710 143.1
[M+HCOO]- 267.098651 163.0
[M+CH3COO]- 281.114301 184.7
[M+Na-2H]- 243.075116 149.9
[M]+ 222.09990142 143.9
[M]- 222.10099858 143.9
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.