CID 115548

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

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC1CCC(C12C(=O)NC(=O)NC2=O)(C)C
InChI
InChI=1S/C11H16N2O3/c1-6-4-5-10(2,3)11(6)7(14)12-9(16)13-8(11)15/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16)
InChIKey
RJSOSRALKPYMAO-UHFFFAOYSA-N
Compound name
1,4,4-trimethyl-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

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 148.6
[M+Na]+ 247.10531 157.5
[M-H]- 223.10881 149.3
[M+NH4]+ 242.14991 169.3
[M+K]+ 263.07925 153.7
[M+H-H2O]+ 207.11335 143.9
[M+HCOO]- 269.11429 163.0
[M+CH3COO]- 283.12994 183.2
[M+Na-2H]- 245.09076 150.5
[M]+ 224.11554 143.0
[M]- 224.11664 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.