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

509
Patents

205.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 139.7
[M+Na]+ 228.063118 145.7
[M-H]- 204.066624 144.8
[M+NH4]+ 223.107723 150.7
[M+K]+ 244.037058 147.3
[M+H-H2O]+ 188.071160 127.2
[M+HCOO]- 250.072101 160.6
[M+CH3COO]- 264.087751 186.5
[M+Na-2H]- 226.048566 144.7
[M]+ 205.07335142 149.0
[M]- 205.07444858 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

literature stripe

Patent stripe

patents stripe