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

9
Patents

273.1365 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.143776 160.2
[M+Na]+ 296.125718 164.0
[M-H]- 272.129224 166.3
[M+NH4]+ 291.170323 170.3
[M+K]+ 312.099658 164.4
[M+H-H2O]+ 256.133760 147.0
[M+HCOO]- 318.134701 176.5
[M+CH3COO]- 332.150351 198.0
[M+Na-2H]- 294.111166 163.6
[M]+ 273.13595142 165.4
[M]- 273.13704858 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