CID 5843

2,4-diazaspiro[5.5]undecane-1,3,5-trione

Structural Information

Molecular Formula
C9H12N2O3
SMILES
C1CCC2(CC1)C(=O)NC(=O)NC2=O
InChI
InChI=1S/C9H12N2O3/c12-6-9(4-2-1-3-5-9)7(13)11-8(14)10-6/h1-5H2,(H2,10,11,12,13,14)
InChIKey
NBLIVIWUPTWDMD-UHFFFAOYSA-N
Compound name
2,4-diazaspiro[5.5]undecane-1,3,5-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

71
Patents

196.0848 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.092076 143.5
[M+Na]+ 219.074018 149.5
[M-H]- 195.077524 143.0
[M+NH4]+ 214.118623 160.6
[M+K]+ 235.047958 145.9
[M+H-H2O]+ 179.082060 136.7
[M+HCOO]- 241.083001 156.3
[M+CH3COO]- 255.098651 175.5
[M+Na-2H]- 217.059466 147.5
[M]+ 196.08425142 133.7
[M]- 196.08534858 133.7
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

patents stripe