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

19
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 156.5
[M+Na]+ 308.05632 161.1
[M-H]- 284.05982 161.1
[M+NH4]+ 303.10092 164.3
[M+K]+ 324.03026 162.8
[M+H-H2O]+ 268.06436 143.1
[M+HCOO]- 330.06530 170.7
[M+CH3COO]- 344.08095 196.8
[M+Na-2H]- 306.04177 158.9
[M]+ 285.06655 169.5
[M]- 285.06765 169.5
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