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]+ 286.074376 156.5
[M+Na]+ 308.056318 161.1
[M-H]- 284.059824 161.1
[M+NH4]+ 303.100923 164.3
[M+K]+ 324.030258 162.8
[M+H-H2O]+ 268.064360 143.1
[M+HCOO]- 330.065301 170.7
[M+CH3COO]- 344.080951 196.8
[M+Na-2H]- 306.041766 158.9
[M]+ 285.06655142 169.5
[M]- 285.06764858 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