CID 57416995

Benzyl 2-oxo-6-azaspiro[3.5]nonane-6-carboxylate

Structural Information

Molecular Formula
C16H19NO3
SMILES
C1CC2(CC(=O)C2)CN(C1)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C16H19NO3/c18-14-9-16(10-14)7-4-8-17(12-16)15(19)20-11-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
InChIKey
TYPXLONFNRCARO-UHFFFAOYSA-N
Compound name
benzyl 2-oxo-6-azaspiro[3.5]nonane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

273.1365 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 160.2
[M+Na]+ 296.12572 164.0
[M-H]- 272.12922 166.3
[M+NH4]+ 291.17032 170.3
[M+K]+ 312.09966 164.4
[M+H-H2O]+ 256.13376 147.0
[M+HCOO]- 318.13470 176.5
[M+CH3COO]- 332.15035 198.0
[M+Na-2H]- 294.11117 163.6
[M]+ 273.13595 165.4
[M]- 273.13705 165.4
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