CID 59649456

88550-63-4

Structural Information

Molecular Formula

C₅H₁₁NO₂S

SMILES

CC1(CCS(=O)(=O)N1)C

InChI

InChI=1S/C5H11NO2S/c1-5(2)3-4-9(7,8)6-5/h6H,3-4H2,1-2H3

InChIKey

XDLKHEFKZQJAEV-UHFFFAOYSA-N

Compound name

3,3-dimethyl-1,2-thiazolidine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 149.05106 Da
Monoisotopic Mass: 0.1
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	125.3
[M+Na]+	172.04028	135.2
[M-H]-	148.04378	126.9
[M+NH4]+	167.08488	151.0
[M+K]+	188.01422	133.4
[M+H-H2O]+	132.04832	122.3
[M+HCOO]-	194.04926	141.7
[M+CH3COO]-	208.06491	166.9
[M+Na-2H]-	170.02573	129.8
[M]+	149.05051	125.3
[M]-	149.05161	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe