CID 2808534

Benzyl 4-oxo-2-azetidinecarboxylate

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: 69
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]+	206.081176	141.1
[M+Na]+	228.063118	146.6
[M-H]-	204.066624	144.7
[M+NH4]+	223.107723	151.3
[M+K]+	244.037058	147.3
[M+H-H2O]+	188.071160	128.7
[M+HCOO]-	250.072101	160.5
[M+CH3COO]-	264.087751	184.6
[M+Na-2H]-	226.048566	145.5
[M]+	205.07335142	148.6
[M]-	205.07444858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe