CID 2808534

Benzyl 4-oxoazetidine-2-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

C1C(NC1=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C11H11NO3/c13-10-6-9(12-10)11(14)15-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)

InChIKey

WGLLBHSIXLWVFU-UHFFFAOYSA-N

Compound name

benzyl 4-oxoazetidine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 205.0739 Da
Monoisotopic Mass: 0.7
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]+	206.08118	143.9
[M+Na]+	228.06312	150.9
[M+NH4]+	223.10772	146.8
[M+K]+	244.03706	147.7
[M-H]-	204.06662	142.4
[M+Na-2H]-	226.04857	147.4
[M]+	205.07335	143.0
[M]-	205.07445	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe