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

19
Patents

184.12119 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.128466 140.7
[M+Na]+ 207.110408 144.7
[M-H]- 183.113914 134.4
[M+NH4]+ 202.155013 162.2
[M+K]+ 223.084348 143.8
[M+H-H2O]+ 167.118450 134.7
[M+HCOO]- 229.119391 149.8
[M+CH3COO]- 243.135041 150.4
[M+Na-2H]- 205.095856 150.9
[M]+ 184.12064142 142.4
[M]- 184.12173858 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