CID 115538

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

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CC1CCCC12C(=O)NC(=O)NC2=O
InChI
InChI=1S/C9H12N2O3/c1-5-3-2-4-9(5)6(12)10-8(14)11-7(9)13/h5H,2-4H2,1H3,(H2,10,11,12,13,14)
InChIKey
BQTSXCFBLIYEDS-UHFFFAOYSA-N
Compound name
4-methyl-7,9-diazaspiro[4.5]decane-6,8,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

196.0848 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 142.5
[M+Na]+ 219.07402 150.4
[M-H]- 195.07752 142.8
[M+NH4]+ 214.11862 162.0
[M+K]+ 235.04796 146.7
[M+H-H2O]+ 179.08206 136.8
[M+HCOO]- 241.08300 157.6
[M+CH3COO]- 255.09865 176.2
[M+Na-2H]- 217.05947 144.5
[M]+ 196.08425 135.3
[M]- 196.08535 135.3
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

patents stripe