CID 9794260

3-(acetyloxy)-4-phenyl-2-azetidinone

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC(=O)OC1C(NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H11NO3/c1-7(13)15-10-9(12-11(10)14)8-5-3-2-4-6-8/h2-6,9-10H,1H3,(H,12,14)
InChIKey
YTBSMLRVFPHDOB-UHFFFAOYSA-N
Compound name
(2-oxo-4-phenylazetidin-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

87
Patents

205.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 141.3
[M+Na]+ 228.063118 147.6
[M-H]- 204.066624 145.3
[M+NH4]+ 223.107723 151.8
[M+K]+ 244.037058 148.4
[M+H-H2O]+ 188.071160 129.1
[M+HCOO]- 250.072101 160.6
[M+CH3COO]- 264.087751 185.8
[M+Na-2H]- 226.048566 145.0
[M]+ 205.07335142 149.2
[M]- 205.07444858 149.2
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