CID 28714

17719-29-8

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]+ 230.153946 151.2
[M+Na]+ 252.135888 154.8
[M-H]- 228.139394 157.0
[M+NH4]+ 247.180493 162.1
[M+K]+ 268.109828 153.6
[M+H-H2O]+ 212.143930 138.5
[M+HCOO]- 274.144871 167.0
[M+CH3COO]- 288.160521 189.5
[M+Na-2H]- 250.121336 155.3
[M]+ 229.14612142 152.4
[M]- 229.14721858 152.4
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.