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 131.8
[M+Na]+ 210.08894 137.4
[M-H]- 186.09244 137.6
[M+NH4]+ 205.13354 138.7
[M+K]+ 226.06288 139.5
[M+H-H2O]+ 170.09698 117.2
[M+HCOO]- 232.09792 148.8
[M+CH3COO]- 246.11357 191.7
[M+Na-2H]- 208.07439 138.2
[M]+ 187.09917 144.7
[M]- 187.10027 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.