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 139.5
[M+Na]+ 204.09950 144.1
[M-H]- 180.10300 135.0
[M+NH4]+ 199.14410 162.6
[M+K]+ 220.07344 142.9
[M+H-H2O]+ 164.10754 134.4
[M+HCOO]- 226.10848 151.1
[M+CH3COO]- 240.12413 150.2
[M+Na-2H]- 202.08495 150.3
[M]+ 181.10973 142.5
[M]- 181.11083 142.5
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.