CID 21039545

Ethyl 3-oxo-2-azabicyclo[2.2.2]octane-4-carboxylate

Structural Information

Molecular Formula
C10H15NO3
SMILES
CCOC(=O)C12CCC(CC1)NC2=O
InChI
InChI=1S/C10H15NO3/c1-2-14-9(13)10-5-3-7(4-6-10)11-8(10)12/h7H,2-6H2,1H3,(H,11,12)
InChIKey
ICSDOPIVXVXHFP-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-2-azabicyclo[2.2.2]octane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
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 144.2
[M+Na]+ 220.094418 148.7
[M-H]- 196.097924 138.1
[M+NH4]+ 215.139023 167.7
[M+K]+ 236.068358 146.7
[M+H-H2O]+ 180.102460 139.5
[M+HCOO]- 242.103401 153.0
[M+CH3COO]- 256.119051 185.1
[M+Na-2H]- 218.079866 154.6
[M]+ 197.10465142 145.1
[M]- 197.10574858 145.1
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

No patent data available for this compound.