CID 10632047

Benzyl 3-oxoazetidine-1-carboxylate

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1C(=O)CN1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C11H11NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
VLMMTGKGDOAYER-UHFFFAOYSA-N
Compound name
benzyl 3-oxoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

491
Patents

205.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 139.7
[M+Na]+ 228.06312 145.7
[M-H]- 204.06662 144.8
[M+NH4]+ 223.10772 150.7
[M+K]+ 244.03706 147.3
[M+H-H2O]+ 188.07116 127.2
[M+HCOO]- 250.07210 160.6
[M+CH3COO]- 264.08775 186.5
[M+Na-2H]- 226.04857 144.7
[M]+ 205.07335 149.0
[M]- 205.07445 149.0
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

No patent data available for this compound.