CID 52614

Brn 0613083

Structural Information

Molecular Formula

C₁₀H₁₃NO₃S

SMILES

COC1=CC=C(C=C1)N2CCCS2(=O)=O

InChI

InChI=1S/C10H13NO3S/c1-14-10-5-3-9(4-6-10)11-7-2-8-15(11,12)13/h3-6H,2,7-8H2,1H3

InChIKey

DYWGVURHMFXKHZ-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-1,2-thiazolidine 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 227.06161 Da
Monoisotopic Mass: 1.2
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]+	228.06889	145.8
[M+Na]+	250.05083	155.6
[M-H]-	226.05433	152.0
[M+NH4]+	245.09543	167.1
[M+K]+	266.02477	153.0
[M+H-H2O]+	210.05887	140.0
[M+HCOO]-	272.05981	164.2
[M+CH3COO]-	286.07546	183.4
[M+Na-2H]-	248.03628	148.5
[M]+	227.06106	148.5
[M]-	227.06216	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe