CID 48469

66941-18-2

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)C(C)(C)C#C
InChI
InChI=1S/C11H14N2O3/c1-5-10(3,4)11(6-2)7(14)12-9(16)13-8(11)15/h1H,6H2,2-4H3,(H2,12,13,14,15,16)
InChIKey
HTCSVOLKDUWWIU-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-methylbut-3-yn-2-yl)-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

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 147.9
[M+Na]+ 245.08967 156.9
[M+NH4]+ 240.13427 150.4
[M+K]+ 261.06361 149.0
[M-H]- 221.09317 137.5
[M+Na-2H]- 243.07512 148.1
[M]+ 222.09990 145.2
[M]- 222.10100 145.2
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.