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

5
Patents

197.1052 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.112476 142.2
[M+Na]+ 220.094418 146.8
[M-H]- 196.097924 137.6
[M+NH4]+ 215.139023 164.7
[M+K]+ 236.068358 145.8
[M+H-H2O]+ 180.102460 137.3
[M+HCOO]- 242.103401 152.6
[M+CH3COO]- 256.119051 189.2
[M+Na-2H]- 218.079866 151.5
[M]+ 197.10465142 144.9
[M]- 197.10574858 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe