CID 103684411

1603121-77-2

Structural Information

Molecular Formula

C₈H₁₃NO₂S

SMILES

CC1CS(=O)(=O)CCN1CC#C

InChI

InChI=1S/C8H13NO2S/c1-3-4-9-5-6-12(10,11)7-8(9)2/h1,8H,4-7H2,2H3

InChIKey

VAGNEMLNRVRRIP-UHFFFAOYSA-N

Compound name

3-methyl-4-prop-2-ynyl-1,4-thiazinane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 187.0667 Da
Monoisotopic Mass: 0.0
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]+	188.07398	133.5
[M+Na]+	210.05592	144.1
[M+NH4]+	205.10052	139.2
[M+K]+	226.02986	132.8
[M-H]-	186.05942	126.3
[M+Na-2H]-	208.04137	136.2
[M]+	187.06615	132.6
[M]-	187.06725	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe