CID 121552838

3-phenyl-2-azaspiro[3.4]octan-1-one

Structural Information

Molecular Formula
C13H15NO
SMILES
C1CCC2(C1)C(NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C13H15NO/c15-12-13(8-4-5-9-13)11(14-12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15)
InChIKey
IYKGEDZPDLIKKC-UHFFFAOYSA-N
Compound name
1-phenyl-2-azaspiro[3.4]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12265 144.0
[M+Na]+ 224.10459 151.2
[M+NH4]+ 219.14919 150.5
[M+K]+ 240.07853 146.3
[M-H]- 200.10809 144.9
[M+Na-2H]- 222.09004 149.8
[M]+ 201.11482 144.2
[M]- 201.11592 144.2
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.