CID 115565

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

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CCCCC1CCC(C12C(=O)NC(=O)NC2=O)C
InChI
InChI=1S/C13H20N2O3/c1-3-4-5-9-7-6-8(2)13(9)10(16)14-12(18)15-11(13)17/h8-9H,3-7H2,1-2H3,(H2,14,15,16,17,18)
InChIKey
FHZJLSBKMUNSPJ-UHFFFAOYSA-N
Compound name
4-butyl-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

252.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.154676 159.3
[M+Na]+ 275.136618 166.3
[M-H]- 251.140124 159.3
[M+NH4]+ 270.181223 176.8
[M+K]+ 291.110558 161.8
[M+H-H2O]+ 235.144660 153.3
[M+HCOO]- 297.145601 173.0
[M+CH3COO]- 311.161251 189.5
[M+Na-2H]- 273.122066 158.7
[M]+ 252.14685142 153.9
[M]- 252.14794858 153.9
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.