CID 10753243

141699-58-3

Structural Information

Molecular Formula

C₉H₁₇NO₅S

SMILES

CC(C)(C)OC(=O)N1CC(C1)OS(=O)(=O)C

InChI

InChI=1S/C9H17NO5S/c1-9(2,3)14-8(11)10-5-7(6-10)15-16(4,12)13/h7H,5-6H2,1-4H3

InChIKey

XXBDTKYKFFIAEY-UHFFFAOYSA-N

Compound name

tert-butyl 3-methylsulfonyloxyazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1145
Patents: 251.08275 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.09003	156.5
[M+Na]+	274.07197	159.2
[M+NH4]+	269.11657	157.2
[M+K]+	290.04591	157.9
[M-H]-	250.07547	150.4
[M+Na-2H]-	272.05742	154.8
[M]+	251.08220	154.1
[M]-	251.08330	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe