CID 52911274

1400764-60-4

Structural Information

Molecular Formula

SMILES

CS(=O)(=O)C1CNC1

InChI

InChI=1S/C4H9NO2S/c1-8(6,7)4-2-5-3-4/h4-5H,2-3H2,1H3

InChIKey

CUSQXAPAQNXLMS-UHFFFAOYSA-N

Compound name

3-methylsulfonylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 384
Patents: 135.0354 Da
Monoisotopic Mass: -1.0
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]+	136.04268	121.2
[M+Na]+	158.02462	127.2
[M-H]-	134.02812	122.1
[M+NH4]+	153.06922	134.7
[M+K]+	173.99856	128.7
[M+H-H2O]+	118.03266	110.6
[M+HCOO]-	180.03360	135.0
[M+CH3COO]-	194.04925	169.3
[M+Na-2H]-	156.01007	125.4
[M]+	135.03485	128.9
[M]-	135.03595	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe