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

8
Patents

183.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.133206 141.0
[M+Na]+ 206.115148 144.6
[M-H]- 182.118654 136.1
[M+NH4]+ 201.159753 164.0
[M+K]+ 222.089088 143.5
[M+H-H2O]+ 166.123190 135.9
[M+HCOO]- 228.124131 151.1
[M+CH3COO]- 242.139781 186.1
[M+Na-2H]- 204.100596 150.7
[M]+ 183.12538142 142.4
[M]- 183.12647858 142.4
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