CID 14965536

86840-29-1

Structural Information

Molecular Formula

C₆H₁₄OS₂

SMILES

CC(C)(C)SSCCO

InChI

InChI=1S/C6H14OS2/c1-6(2,3)9-8-5-4-7/h7H,4-5H2,1-3H3

InChIKey

WAYNOTPQBWPPBJ-UHFFFAOYSA-N

Compound name

2-(tert-butyldisulfanyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 166.04861 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]+	167.055886	134.4
[M+Na]+	189.037828	141.4
[M-H]-	165.041334	133.3
[M+NH4]+	184.082433	155.1
[M+K]+	205.011768	138.3
[M+H-H2O]+	149.045870	129.9
[M+HCOO]-	211.046811	144.0
[M+CH3COO]-	225.062461	175.2
[M+Na-2H]-	187.023276	135.4
[M]+	166.04806142	137.2
[M]-	166.04915858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe