CID 54594194

Benzyl 3-(methanesulfonyloxy)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H15NO5S
SMILES
CS(=O)(=O)OC1CN(C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H15NO5S/c1-19(15,16)18-11-7-13(8-11)12(14)17-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKey
LYKMKJYTJCYXTR-UHFFFAOYSA-N
Compound name
benzyl 3-methylsulfonyloxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

285.0671 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07438 158.5
[M+Na]+ 308.05632 163.9
[M+NH4]+ 303.10092 160.3
[M+K]+ 324.03026 160.5
[M-H]- 284.05982 155.8
[M+Na-2H]- 306.04177 160.8
[M]+ 285.06655 157.5
[M]- 285.06765 157.5
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