CID 115552

Sodium 2-ethyl-1-propyl-6,8-diazaspiro(3.5)nonane-5,7,9-trione

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CCCC1C(CC12C(=O)NC(=O)NC2=O)CC
InChI
InChI=1S/C12H18N2O3/c1-3-5-8-7(4-2)6-12(8)9(15)13-11(17)14-10(12)16/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKey
BHCFJPMEFQCSLO-UHFFFAOYSA-N
Compound name
2-ethyl-3-propyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.139016 155.2
[M+Na]+ 261.120958 161.3
[M-H]- 237.124464 155.2
[M+NH4]+ 256.165563 165.1
[M+K]+ 277.094898 160.4
[M+H-H2O]+ 221.129000 144.3
[M+HCOO]- 283.129941 168.0
[M+CH3COO]- 297.145591 191.5
[M+Na-2H]- 259.106406 156.3
[M]+ 238.13119142 159.8
[M]- 238.13228858 159.8
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.