CID 121605886

Benzyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate

Structural Information

Molecular Formula
C15H17NO3
SMILES
C1CN(CC12CC(=O)C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H17NO3/c17-13-8-15(9-13)6-7-16(11-15)14(18)19-10-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKey
JNGSGUKHCNQSOU-UHFFFAOYSA-N
Compound name
benzyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.128126 155.6
[M+Na]+ 282.110068 160.6
[M-H]- 258.113574 162.6
[M+NH4]+ 277.154673 168.2
[M+K]+ 298.084008 160.9
[M+H-H2O]+ 242.118110 143.7
[M+HCOO]- 304.119051 174.5
[M+CH3COO]- 318.134701 194.5
[M+Na-2H]- 280.095516 158.1
[M]+ 259.12030142 162.8
[M]- 259.12139858 162.8
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.