CID 66060

110-06-5

Structural Information

Molecular Formula

C₈H₁₈S₂

SMILES

CC(C)(C)SSC(C)(C)C

InChI

InChI=1S/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6H3

InChIKey

BKCNDTDWDGQHSD-UHFFFAOYSA-N

Compound name

2-(tert-butyldisulfanyl)-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 12
References: 1904
Patents: 178.08499 Da
Monoisotopic Mass: 2.9
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]+	179.092266	139.4
[M+Na]+	201.074208	146.5
[M-H]-	177.077714	139.8
[M+NH4]+	196.118813	160.6
[M+K]+	217.048148	144.0
[M+H-H2O]+	161.082250	134.9
[M+HCOO]-	223.083191	148.2
[M+CH3COO]-	237.098841	181.7
[M+Na-2H]-	199.059656	140.5
[M]+	178.08444142	142.8
[M]-	178.08553858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe