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

74
Patents

205.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 141.1
[M+Na]+ 228.06312 146.6
[M-H]- 204.06662 144.7
[M+NH4]+ 223.10772 151.3
[M+K]+ 244.03706 147.3
[M+H-H2O]+ 188.07116 128.7
[M+HCOO]- 250.07210 160.5
[M+CH3COO]- 264.08775 184.6
[M+Na-2H]- 226.04857 145.5
[M]+ 205.07335 148.6
[M]- 205.07445 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe