CID 525358

Methyl ethyl trisulfide

Structural Information

Molecular Formula

C₃H₈S₃

SMILES

CCSSSC

InChI

InChI=1S/C3H8S3/c1-3-5-6-4-2/h3H2,1-2H3

InChIKey

XEKUTWIJPKGAQT-UHFFFAOYSA-N

Compound name

(methyltrisulfanyl)ethane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 48
Patents: 139.97882 Da
Monoisotopic Mass: 1.7
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]+	140.986096	121.2
[M+Na]+	162.968038	129.3
[M-H]-	138.971544	121.2
[M+NH4]+	158.012643	142.9
[M+K]+	178.941978	125.1
[M+H-H2O]+	122.976080	116.2
[M+HCOO]-	184.977021	128.0
[M+CH3COO]-	198.992671	173.9
[M+Na-2H]-	160.953486	121.4
[M]+	139.97827142	123.0
[M]-	139.97936858	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe