CID 2724624

4-benzoyloxy-2-azetidinone

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

C1C(NC1=O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C10H9NO3/c12-8-6-9(11-8)14-10(13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12)

InChIKey

HJJGOOONOIFDRH-UHFFFAOYSA-N

Compound name

(4-oxoazetidin-2-yl) benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 195
Patents: 191.05824 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.06552	136.4
[M+Na]+	214.04746	142.3
[M-H]-	190.05096	140.2
[M+NH4]+	209.09206	147.1
[M+K]+	230.02140	143.3
[M+H-H2O]+	174.05550	124.2
[M+HCOO]-	236.05644	156.1
[M+CH3COO]-	250.07209	181.7
[M+Na-2H]-	212.03291	141.4
[M]+	191.05769	143.6
[M]-	191.05879	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe