CID 57485793

Ethyl 3-azabicyclo[3.3.1]non-6-ene-3-carboxylate

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCOC(=O)N1CC2CC=CC(C2)C1
InChI
InChI=1S/C11H17NO2/c1-2-14-11(13)12-7-9-4-3-5-10(6-9)8-12/h3-4,9-10H,2,5-8H2,1H3
InChIKey
KEYRANAZLUHARU-UHFFFAOYSA-N
Compound name
ethyl 3-azabicyclo[3.3.1]non-6-ene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

195.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 143.8
[M+Na]+ 218.115148 149.0
[M-H]- 194.118654 144.4
[M+NH4]+ 213.159753 163.5
[M+K]+ 234.089088 147.5
[M+H-H2O]+ 178.123190 137.3
[M+HCOO]- 240.124131 159.9
[M+CH3COO]- 254.139781 183.9
[M+Na-2H]- 216.100596 149.3
[M]+ 195.12538142 141.7
[M]- 195.12647858 141.7
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