CID 115554

Sodium 1,5-dimethyl-8,10-diazaspiro(5.5)undecane-7,9,11-trione

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC1CCCC(C12C(=O)NC(=O)NC2=O)C
InChI
InChI=1S/C11H16N2O3/c1-6-4-3-5-7(2)11(6)8(14)12-10(16)13-9(11)15/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKey
VVFIRUODPQGFPX-UHFFFAOYSA-N
Compound name
7,11-dimethyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 151.3
[M+Na]+ 247.105308 158.3
[M-H]- 223.108814 151.2
[M+NH4]+ 242.149913 168.0
[M+K]+ 263.079248 154.3
[M+H-H2O]+ 207.113350 144.9
[M+HCOO]- 269.114291 163.4
[M+CH3COO]- 283.129941 184.1
[M+Na-2H]- 245.090756 153.0
[M]+ 224.11554142 143.0
[M]- 224.11663858 143.0
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.