CID 209859

4-methoxytetrahydrothiophene-3-ol 1,1-dioxide

Structural Information

Molecular Formula

C₅H₁₀O₄S

SMILES

COC1CS(=O)(=O)CC1O

InChI

InChI=1S/C5H10O4S/c1-9-5-3-10(7,8)2-4(5)6/h4-6H,2-3H2,1H3

InChIKey

IEIXUOFOSLJYOT-UHFFFAOYSA-N

Compound name

4-methoxy-1,1-dioxothiolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 166.02998 Da
Monoisotopic Mass: -1.3
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]+	167.03726	128.7
[M+Na]+	189.01920	138.2
[M-H]-	165.02270	131.7
[M+NH4]+	184.06380	153.1
[M+K]+	204.99314	137.1
[M+H-H2O]+	149.02724	125.6
[M+HCOO]-	211.02818	146.7
[M+CH3COO]-	225.04383	169.7
[M+Na-2H]-	187.00465	131.5
[M]+	166.02943	131.0
[M]-	166.03053	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe