CID 119981

4-acetoxy-2-azetidinone

Structural Information

Molecular Formula
C5H7NO3
SMILES
CC(=O)OC1CC(=O)N1
InChI
InChI=1S/C5H7NO3/c1-3(7)9-5-2-4(8)6-5/h5H,2H2,1H3,(H,6,8)
InChIKey
OEYMQQDJCUHKQS-UHFFFAOYSA-N
Compound name
(4-oxoazetidin-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

700
Patents

129.04259 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 126.1
[M+Na]+ 152.03181 131.4
[M+NH4]+ 147.07641 128.7
[M+K]+ 168.00575 129.8
[M-H]- 128.03531 122.0
[M+Na-2H]- 150.01726 126.8
[M]+ 129.04204 124.1
[M]- 129.04314 124.1
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