CID 91618499

55800-41-4

Structural Information

Molecular Formula

C₅H₁₂O₂S₂

SMILES

CC(C)(C)SS(=O)(=O)C

InChI

InChI=1S/C5H12O2S2/c1-5(2,3)8-9(4,6)7/h1-4H3

InChIKey

GOPZNWBPYDZZFH-UHFFFAOYSA-N

Compound name

2-methyl-2-methylsulfonylsulfanylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 168.02788 Da
Monoisotopic Mass: 1.0
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]+	169.03516	133.7
[M+Na]+	191.01710	142.1
[M-H]-	167.02060	134.3
[M+NH4]+	186.06170	154.9
[M+K]+	206.99104	139.8
[M+H-H2O]+	151.02514	129.4
[M+HCOO]-	213.02608	144.2
[M+CH3COO]-	227.04173	175.4
[M+Na-2H]-	189.00255	136.4
[M]+	168.02733	137.5
[M]-	168.02843	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe