CID 49310

67051-39-2

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC(C)C1(C(=O)NC(=O)NC1=O)CC(=C)C
InChI
InChI=1S/C11H16N2O3/c1-6(2)5-11(7(3)4)8(14)12-10(16)13-9(11)15/h7H,1,5H2,2-4H3,(H2,12,13,14,15,16)
InChIKey
REIXBXPKTXRRLA-UHFFFAOYSA-N
Compound name
5-(2-methylprop-2-enyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 149.4
[M+Na]+ 247.105308 156.4
[M-H]- 223.108814 147.4
[M+NH4]+ 242.149913 165.7
[M+K]+ 263.079248 153.2
[M+H-H2O]+ 207.113350 144.2
[M+HCOO]- 269.114291 162.7
[M+CH3COO]- 283.129941 186.5
[M+Na-2H]- 245.090756 149.7
[M]+ 224.11554142 144.9
[M]- 224.11663858 144.9
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.