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: 53
Patents: 196.0848 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.09208	144.7
[M+Na]+	219.07402	154.1
[M+NH4]+	214.11862	152.4
[M+K]+	235.04796	147.7
[M-H]-	195.07752	144.3
[M+Na-2H]-	217.05947	148.7
[M]+	196.08425	145.6
[M]-	196.08535	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe