CID 91413

4-methylthiomorpholine 1,1-dioxide

Structural Information

Molecular Formula

C₅H₁₁NO₂S

SMILES

CN1CCS(=O)(=O)CC1

InChI

InChI=1S/C5H11NO2S/c1-6-2-4-9(7,8)5-3-6/h2-5H2,1H3

InChIKey

ULZCOWMSBOJCLT-UHFFFAOYSA-N

Compound name

4-methyl-1,4-thiazinane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1050
Patents: 149.05106 Da
Monoisotopic Mass: -0.6
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]+	150.05834	129.3
[M+Na]+	172.04028	140.1
[M+NH4]+	167.08488	139.2
[M+K]+	188.01422	131.1
[M-H]-	148.04378	130.1
[M+Na-2H]-	170.02573	135.2
[M]+	149.05051	131.5
[M]-	149.05161	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe