CID 28714

3-cyclohexyl-3-phenylazetidin-2-one

Structural Information

Molecular Formula
C15H19NO
SMILES
C1CCC(CC1)C2(CNC2=O)C3=CC=CC=C3
InChI
InChI=1S/C15H19NO/c17-14-15(11-16-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,17)
InChIKey
VFQZGLHTORSEPN-UHFFFAOYSA-N
Compound name
3-cyclohexyl-3-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14667 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15395 153.7
[M+Na]+ 252.13589 161.6
[M+NH4]+ 247.18049 160.0
[M+K]+ 268.10983 154.2
[M-H]- 228.13939 155.9
[M+Na-2H]- 250.12134 160.6
[M]+ 229.14612 154.4
[M]- 229.14722 154.4
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.