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 143.2
[M+Na]+ 212.10459 149.3
[M-H]- 188.10809 147.2
[M+NH4]+ 207.14919 156.3
[M+K]+ 228.07853 149.3
[M+H-H2O]+ 172.11263 132.2
[M+HCOO]- 234.11357 161.7
[M+CH3COO]- 248.12922 184.5
[M+Na-2H]- 210.09004 148.0
[M]+ 189.11482 149.4
[M]- 189.11592 149.4
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.