CID 602341

Ethyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate

Structural Information

Molecular Formula
C10H15NO2
SMILES
CCOC(=O)C1=CN2CCC1CC2
InChI
InChI=1S/C10H15NO2/c1-2-13-10(12)9-7-11-5-3-8(9)4-6-11/h7-8H,2-6H2,1H3
InChIKey
RHJKPXWZECVCFT-UHFFFAOYSA-N
Compound name
ethyl 1-azabicyclo[2.2.2]oct-2-ene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 136.2
[M+Na]+ 204.09950 146.5
[M+NH4]+ 199.14410 146.3
[M+K]+ 220.07344 140.0
[M-H]- 180.10300 133.7
[M+Na-2H]- 202.08495 134.7
[M]+ 181.10973 136.8
[M]- 181.11083 136.8
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

No patent data available for this compound.