CID 15392

3-methyl-3-phenylazetidin-2-one

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1(CNC1=O)C2=CC=CC=C2
InChI
InChI=1S/C10H11NO/c1-10(7-11-9(10)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)
InChIKey
FWRSXKVUCBPVLE-UHFFFAOYSA-N
Compound name
3-methyl-3-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 132.3
[M+Na]+ 184.07328 139.6
[M-H]- 160.07678 136.6
[M+NH4]+ 179.11788 146.7
[M+K]+ 200.04722 139.6
[M+H-H2O]+ 144.08132 121.7
[M+HCOO]- 206.08226 152.6
[M+CH3COO]- 220.09791 177.9
[M+Na-2H]- 182.05873 139.6
[M]+ 161.08351 138.5
[M]- 161.08461 138.5
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

patents stripe