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]+ 230.15395 151.2
[M+Na]+ 252.13589 154.8
[M-H]- 228.13939 157.0
[M+NH4]+ 247.18049 162.1
[M+K]+ 268.10983 153.6
[M+H-H2O]+ 212.14393 138.5
[M+HCOO]- 274.14487 167.0
[M+CH3COO]- 288.16052 189.5
[M+Na-2H]- 250.12134 155.3
[M]+ 229.14612 152.4
[M]- 229.14722 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.