CID 59455401

Ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CCOC(=O)C1CCC2(CC1)CC(=O)NC2
InChI
InChI=1S/C12H19NO3/c1-2-16-11(15)9-3-5-12(6-4-9)7-10(14)13-8-12/h9H,2-8H2,1H3,(H,13,14)
InChIKey
AIIUIMMFKSQURO-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-2-azaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

225.13649 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 153.3
[M+Na]+ 248.12571 157.9
[M-H]- 224.12921 155.2
[M+NH4]+ 243.17031 173.2
[M+K]+ 264.09965 155.6
[M+H-H2O]+ 208.13375 147.2
[M+HCOO]- 270.13469 169.0
[M+CH3COO]- 284.15034 183.4
[M+Na-2H]- 246.11116 154.3
[M]+ 225.13594 147.6
[M]- 225.13704 147.6
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