CID 417650

Ethyl 3-oxoquinuclidine-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

CCOC(=O)C1C(=O)C2CCN1CC2

InChI

InChI=1S/C10H15NO3/c1-2-14-10(13)8-9(12)7-3-5-11(8)6-4-7/h7-8H,2-6H2,1H3

InChIKey

ZJSQPPLVZFFPOW-UHFFFAOYSA-N

Compound name

ethyl 3-oxo-1-azabicyclo[2.2.2]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.1052 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]+	198.11248	139.4
[M+Na]+	220.09442	148.7
[M+NH4]+	215.13902	148.6
[M+K]+	236.06836	143.1
[M-H]-	196.09792	136.0
[M+Na-2H]-	218.07987	136.3
[M]+	197.10465	139.5
[M]-	197.10575	139.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.