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 150.0
[M+Na]+ 245.08967 159.6
[M-H]- 221.09317 147.3
[M+NH4]+ 240.13427 164.6
[M+K]+ 261.06361 155.2
[M+H-H2O]+ 205.09771 139.0
[M+HCOO]- 267.09865 158.8
[M+CH3COO]- 281.11430 192.0
[M+Na-2H]- 243.07512 152.6
[M]+ 222.09990 141.2
[M]- 222.10100 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.