CID 28390

3-phenyl-3-propan-2-ylazetidin-2-one

Structural Information

Molecular Formula
C12H15NO
SMILES
CC(C)C1(CNC1=O)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c1-9(2)12(8-13-11(12)14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)
InChIKey
KTXDXEVKTHABEB-UHFFFAOYSA-N
Compound name
3-phenyl-3-propan-2-ylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11537 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 142.3
[M+Na]+ 212.10459 150.2
[M+NH4]+ 207.14919 147.9
[M+K]+ 228.07853 144.2
[M-H]- 188.10809 142.1
[M+Na-2H]- 210.09004 148.2
[M]+ 189.11482 142.3
[M]- 189.11592 142.3
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.