CID 119032052

3-phenyl-2-azaspiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C12H13NO
SMILES
C1CC2(C1)C(NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C12H13NO/c14-11-12(7-4-8-12)10(13-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,14)
InChIKey
ZJKWIOQIRSAWLR-UHFFFAOYSA-N
Compound name
1-phenyl-2-azaspiro[3.3]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 141.2
[M+Na]+ 210.08894 144.7
[M+NH4]+ 205.13354 143.4
[M+K]+ 226.06288 140.7
[M-H]- 186.09244 139.5
[M+Na-2H]- 208.07439 144.9
[M]+ 187.09917 139.2
[M]- 187.10027 139.2
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.