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]+ 196.13321 143.8
[M+Na]+ 218.11515 149.0
[M-H]- 194.11865 144.4
[M+NH4]+ 213.15975 163.5
[M+K]+ 234.08909 147.5
[M+H-H2O]+ 178.12319 137.3
[M+HCOO]- 240.12413 159.9
[M+CH3COO]- 254.13978 183.9
[M+Na-2H]- 216.10060 149.3
[M]+ 195.12538 141.7
[M]- 195.12648 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