CID 98381

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

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CC1CCCCC12C(=O)NC(=O)NC2=O
InChI
InChI=1S/C10H14N2O3/c1-6-4-2-3-5-10(6)7(13)11-9(15)12-8(10)14/h6H,2-5H2,1H3,(H2,11,12,13,14,15)
InChIKey
MOJQTXMYIYJFBE-UHFFFAOYSA-N
Compound name
11-methyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

210.10045 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 147.4
[M+Na]+ 233.08967 153.9
[M-H]- 209.09317 147.2
[M+NH4]+ 228.13427 164.3
[M+K]+ 249.06361 150.2
[M+H-H2O]+ 193.09771 140.9
[M+HCOO]- 255.09865 159.9
[M+CH3COO]- 269.11430 179.8
[M+Na-2H]- 231.07512 150.3
[M]+ 210.09990 138.4
[M]- 210.10100 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.