CID 115558

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

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CCC1CCCC(C12C(=O)NC(=O)NC2=O)C
InChI
InChI=1S/C12H18N2O3/c1-3-8-6-4-5-7(2)12(8)9(15)13-11(17)14-10(12)16/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKey
HQTTWHMNDQAIBJ-UHFFFAOYSA-N
Compound name
11-ethyl-7-methyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.139016 155.6
[M+Na]+ 261.120958 162.2
[M-H]- 237.124464 155.3
[M+NH4]+ 256.165563 171.7
[M+K]+ 277.094898 158.0
[M+H-H2O]+ 221.129000 149.0
[M+HCOO]- 283.129941 167.3
[M+CH3COO]- 297.145591 187.1
[M+Na-2H]- 259.106406 156.8
[M]+ 238.13119142 147.7
[M]- 238.13228858 147.7
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

No patent data available for this compound.