CID 160220

Tiadenol disulfoxide

Structural Information

Molecular Formula

C₁₄H₃₀O₄S₂

SMILES

C(CCCCCS(=O)CCO)CCCCS(=O)CCO

InChI

InChI=1S/C14H30O4S2/c15-9-13-19(17)11-7-5-3-1-2-4-6-8-12-20(18)14-10-16/h15-16H,1-14H2

InChIKey

MOVMHGVXFSSXSK-UHFFFAOYSA-N

Compound name

2-[10-(2-hydroxyethylsulfinyl)decylsulfinyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 326.15854 Da
Monoisotopic Mass: 0.5
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]+	327.165816	176.0
[M+Na]+	349.147758	177.8
[M-H]-	325.151264	171.2
[M+NH4]+	344.192363	188.8
[M+K]+	365.121698	172.4
[M+H-H2O]+	309.155800	169.2
[M+HCOO]-	371.156741	181.9
[M+CH3COO]-	385.172391	202.1
[M+Na-2H]-	347.133206	171.0
[M]+	326.15799142	181.9
[M]-	326.15908858	181.9

Literature stripe

literature stripe

Patent stripe

patents stripe