CID 19310

Dimethyl trisulfide

Structural Information

Molecular Formula

C₂H₆S₃

SMILES

CSSSC

InChI

InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3

InChIKey

YWHLKYXPLRWGSE-UHFFFAOYSA-N

Compound name

(methyltrisulfanyl)methane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 136
References: 5482
Patents: 125.963165 Da
Monoisotopic Mass: 1.3
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]+	126.97044	117.2
[M+Na]+	148.95238	125.7
[M-H]-	124.95589	117.4
[M+NH4]+	143.99699	139.4
[M+K]+	164.92632	121.8
[M+H-H2O]+	108.96042	112.4
[M+HCOO]-	170.96137	124.2
[M+CH3COO]-	184.97702	171.0
[M+Na-2H]-	146.93783	117.8
[M]+	125.96262	118.6
[M]-	125.96371	118.6

Literature stripe

literature stripe

Patent stripe

patents stripe