CID 28390

17197-60-3

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

1
Patents

189.11537 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 143.2
[M+Na]+ 212.104588 149.3
[M-H]- 188.108094 147.2
[M+NH4]+ 207.149193 156.3
[M+K]+ 228.078528 149.3
[M+H-H2O]+ 172.112630 132.2
[M+HCOO]- 234.113571 161.7
[M+CH3COO]- 248.129221 184.5
[M+Na-2H]- 210.090036 148.0
[M]+ 189.11482142 149.4
[M]- 189.11591858 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.