CID 132342114

8-benzyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one

Structural Information

Molecular Formula
C15H17NO2
SMILES
C1CN(CCC12C(=O)C=CO2)CC3=CC=CC=C3
InChI
InChI=1S/C15H17NO2/c17-14-6-11-18-15(14)7-9-16(10-8-15)12-13-4-2-1-3-5-13/h1-6,11H,7-10,12H2
InChIKey
DVNXFIAYIZOBGV-UHFFFAOYSA-N
Compound name
8-benzyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 155.3
[M+Na]+ 266.11515 161.6
[M-H]- 242.11865 162.8
[M+NH4]+ 261.15975 173.6
[M+K]+ 282.08909 159.1
[M+H-H2O]+ 226.12319 147.2
[M+HCOO]- 288.12413 174.2
[M+CH3COO]- 302.13978 167.2
[M+Na-2H]- 264.10060 159.9
[M]+ 243.12538 151.8
[M]- 243.12648 151.8
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.