CID 121605886

1440961-75-0

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]+ 260.12813 155.6
[M+Na]+ 282.11007 160.6
[M-H]- 258.11357 162.6
[M+NH4]+ 277.15467 168.2
[M+K]+ 298.08401 160.9
[M+H-H2O]+ 242.11811 143.7
[M+HCOO]- 304.11905 174.5
[M+CH3COO]- 318.13470 194.5
[M+Na-2H]- 280.09552 158.1
[M]+ 259.12030 162.8
[M]- 259.12140 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.