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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.143766	153.3
[M+Na]+	248.125708	157.9
[M-H]-	224.129214	155.2
[M+NH4]+	243.170313	173.2
[M+K]+	264.099648	155.6
[M+H-H2O]+	208.133750	147.2
[M+HCOO]-	270.134691	169.0
[M+CH3COO]-	284.150341	183.4
[M+Na-2H]-	246.111156	154.3
[M]+	225.13594142	147.6
[M]-	225.13703858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe