CID 115526

Sodium 4-ethyl-1-methyl-7,9-diazaspiro(4.5)decane-6,8,10-trione

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CCC1CCC(C12C(=O)NC(=O)NC2=O)C
InChI
InChI=1S/C11H16N2O3/c1-3-7-5-4-6(2)11(7)8(14)12-10(16)13-9(11)15/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKey
MGDVOGPFASHOIO-UHFFFAOYSA-N
Compound name
4-ethyl-1-methyl-7,9-diazaspiro[4.5]decane-6,8,10-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]+ 225.12337 150.7
[M+Na]+ 247.10531 158.6
[M-H]- 223.10881 151.0
[M+NH4]+ 242.14991 169.3
[M+K]+ 263.07925 154.4
[M+H-H2O]+ 207.11335 145.0
[M+HCOO]- 269.11429 165.0
[M+CH3COO]- 283.12994 183.5
[M+Na-2H]- 245.09076 151.0
[M]+ 224.11554 144.5
[M]- 224.11664 144.5
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.