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]+ 188.106996 131.8
[M+Na]+ 210.088938 137.4
[M-H]- 186.092444 137.6
[M+NH4]+ 205.133543 138.7
[M+K]+ 226.062878 139.5
[M+H-H2O]+ 170.096980 117.2
[M+HCOO]- 232.097921 148.8
[M+CH3COO]- 246.113571 191.7
[M+Na-2H]- 208.074386 138.2
[M]+ 187.09917142 144.7
[M]- 187.10026858 144.7
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.