CID 275705

31562-40-0

Structural Information

Molecular Formula

C₈H₁₈OS₂

SMILES

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

InChI

InChI=1S/C8H18OS2/c1-7(2,3)10-11(9)8(4,5)6/h1-6H3

InChIKey

ZFKIFCIQBZYNIQ-UHFFFAOYSA-N

Compound name

2-tert-butylsulfinylsulfanyl-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 17
Patents: 194.07991 Da
Monoisotopic Mass: 1.8
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]+	195.08719	149.4
[M+Na]+	217.06913	157.6
[M+NH4]+	212.11373	157.4
[M+K]+	233.04307	149.9
[M-H]-	193.07263	148.1
[M+Na-2H]-	215.05458	150.5
[M]+	194.07936	151.2
[M]-	194.08046	151.2

Literature stripe

literature stripe

Patent stripe

patents stripe