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]+ 223.107726 150.0
[M+Na]+ 245.089668 159.6
[M-H]- 221.093174 147.3
[M+NH4]+ 240.134273 164.6
[M+K]+ 261.063608 155.2
[M+H-H2O]+ 205.097710 139.0
[M+HCOO]- 267.098651 158.8
[M+CH3COO]- 281.114301 192.0
[M+Na-2H]- 243.075116 152.6
[M]+ 222.09990142 141.2
[M]- 222.10099858 141.2
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.