CID 15286523

Benzyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate

Structural Information

Molecular Formula
C16H19NO3
SMILES
C1CC2CC(=O)CC(C1)N2C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C16H19NO3/c18-15-9-13-7-4-8-14(10-15)17(13)16(19)20-11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2
InChIKey
PECCPMURUGQWAT-UHFFFAOYSA-N
Compound name
benzyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1365 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 162.5
[M+Na]+ 296.12572 166.8
[M-H]- 272.12922 165.8
[M+NH4]+ 291.17032 178.3
[M+K]+ 312.09966 163.5
[M+H-H2O]+ 256.13376 154.1
[M+HCOO]- 318.13470 177.2
[M+CH3COO]- 332.15035 197.7
[M+Na-2H]- 294.11117 166.1
[M]+ 273.13595 159.1
[M]- 273.13705 159.1
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.