CID 123491

2-quinuclidinecarboxylic acid, ethyl ester

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CCOC(=O)N1CC2CCC1CC2

InChI

InChI=1S/C10H17NO2/c1-2-13-10(12)11-7-8-3-5-9(11)6-4-8/h8-9H,2-7H2,1H3

InChIKey

YJPLMGXUWNSTGG-UHFFFAOYSA-N

Compound name

ethyl 2-azabicyclo[2.2.2]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 183.12593 Da
Monoisotopic Mass: 1.8
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]+	184.13321	137.9
[M+Na]+	206.11515	147.3
[M+NH4]+	201.15975	148.0
[M+K]+	222.08909	141.0
[M-H]-	182.11865	135.2
[M+Na-2H]-	204.10060	135.5
[M]+	183.12538	138.2
[M]-	183.12648	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe