CID 423310

73909-03-2

Structural Information

Molecular Formula

C₆H₁₄NO₂S

SMILES

C[N+]1(CCS(=O)(=O)CC1)C

InChI

InChI=1S/C6H14NO2S/c1-7(2)3-5-10(8,9)6-4-7/h3-6H2,1-2H3/q+1

InChIKey

FEABGPHMIFGBKN-UHFFFAOYSA-N

Compound name

4,4-dimethyl-1,4-thiazinan-4-ium 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 164.07452 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]+	165.081796	124.8
[M+Na]+	187.063738	133.3
[M-H]-	163.067244	127.7
[M+NH4]+	182.108343	148.6
[M+K]+	203.037678	126.9
[M+H-H2O]+	147.071780	123.7
[M+HCOO]-	209.072721	139.9
[M+CH3COO]-	223.088371	165.9
[M+Na-2H]-	185.049186	133.0
[M]+	164.07397142	122.8
[M]-	164.07506858	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe