CID 480045

Ethyl tert amyl disulfide

Structural Information

Molecular Formula

C₇H₁₆S₂

SMILES

CCC(C)(C)SSCC

InChI

InChI=1S/C7H16S2/c1-5-7(3,4)9-8-6-2/h5-6H2,1-4H3

InChIKey

WWTMDKJIDVQUKF-UHFFFAOYSA-N

Compound name

2-(ethyldisulfanyl)-2-methylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 337
Patents: 164.06934 Da
Monoisotopic Mass: 2.8
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]+	165.07662	134.2
[M+Na]+	187.05856	141.2
[M-H]-	163.06206	134.4
[M+NH4]+	182.10316	155.7
[M+K]+	203.03250	138.6
[M+H-H2O]+	147.06660	129.4
[M+HCOO]-	209.06754	144.7
[M+CH3COO]-	223.08319	179.7
[M+Na-2H]-	185.04401	135.0
[M]+	164.06879	137.9
[M]-	164.06989	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe