CID 11008602

Ethyl 1,4-diazabicyclo[2.2.2]octane-2-carboxylate

Structural Information

Molecular Formula
C9H16N2O2
SMILES
CCOC(=O)C1CN2CCN1CC2
InChI
InChI=1S/C9H16N2O2/c1-2-13-9(12)8-7-10-3-5-11(8)6-4-10/h8H,2-7H2,1H3
InChIKey
HXGLXQDKRXSLFI-UHFFFAOYSA-N
Compound name
ethyl 1,4-diazabicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

184.12119 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 140.7
[M+Na]+ 207.11041 144.7
[M-H]- 183.11391 134.4
[M+NH4]+ 202.15501 162.2
[M+K]+ 223.08435 143.8
[M+H-H2O]+ 167.11845 134.7
[M+HCOO]- 229.11939 149.8
[M+CH3COO]- 243.13504 150.4
[M+Na-2H]- 205.09586 150.9
[M]+ 184.12064 142.4
[M]- 184.12174 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