CID 5843

52-44-8

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]+ 197.09208 143.5
[M+Na]+ 219.07402 149.5
[M-H]- 195.07752 143.0
[M+NH4]+ 214.11862 160.6
[M+K]+ 235.04796 145.9
[M+H-H2O]+ 179.08206 136.7
[M+HCOO]- 241.08300 156.3
[M+CH3COO]- 255.09865 175.5
[M+Na-2H]- 217.05947 147.5
[M]+ 196.08425 133.7
[M]- 196.08535 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