CID 75478255

1803583-01-8

Structural Information

Molecular Formula

C₈H₁₇NO₂S

SMILES

CCC1(CNCCS1(=O)=O)CC

InChI

InChI=1S/C8H17NO2S/c1-3-8(4-2)7-9-5-6-12(8,10)11/h9H,3-7H2,1-2H3

InChIKey

CMPUHVSGPDKAOX-UHFFFAOYSA-N

Compound name

2,2-diethyl-1,4-thiazinane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.098 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]+	192.10528	141.6
[M+Na]+	214.08722	151.2
[M+NH4]+	209.13182	152.0
[M+K]+	230.06116	140.3
[M-H]-	190.09072	141.7
[M+Na-2H]-	212.07267	147.9
[M]+	191.09745	143.6
[M]-	191.09855	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.