CID 115530

Sodium spiro(1-ethylcyclopentane barbiturate)

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CCC1CCCC12C(=O)NC(=O)NC2=O
InChI
InChI=1S/C10H14N2O3/c1-2-6-4-3-5-10(6)7(13)11-9(15)12-8(10)14/h6H,2-5H2,1H3,(H2,11,12,13,14,15)
InChIKey
ZVWASAYIOVRYNW-UHFFFAOYSA-N
Compound name
4-ethyl-7,9-diazaspiro[4.5]decane-6,8,10-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.10045 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 146.9
[M+Na]+ 233.08967 154.3
[M-H]- 209.09317 147.0
[M+NH4]+ 228.13427 165.8
[M+K]+ 249.06361 150.4
[M+H-H2O]+ 193.09771 141.0
[M+HCOO]- 255.09865 161.6
[M+CH3COO]- 269.11430 179.2
[M+Na-2H]- 231.07512 148.3
[M]+ 210.09990 140.0
[M]- 210.10100 140.0
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.