CID 13000003

3-methyl-4-phenylazetidin-2-one

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1C(NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C10H11NO/c1-7-9(11-10(7)12)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,12)
InChIKey
NTBKASWPIFDNRJ-UHFFFAOYSA-N
Compound name
3-methyl-4-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 130.6
[M+Na]+ 184.07328 137.9
[M-H]- 160.07678 134.8
[M+NH4]+ 179.11788 143.2
[M+K]+ 200.04722 137.7
[M+H-H2O]+ 144.08132 119.2
[M+HCOO]- 206.08226 150.8
[M+CH3COO]- 220.09791 179.4
[M+Na-2H]- 182.05873 136.2
[M]+ 161.08351 136.8
[M]- 161.08461 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe