CID 85702346

Ethyl (methylthio)methyl disulfide

Structural Information

Molecular Formula

C₄H₁₀S₃

SMILES

CCSSCSC

InChI

InChI=1S/C4H10S3/c1-3-6-7-4-5-2/h3-4H2,1-2H3

InChIKey

LGRRPFGGSKUKDE-UHFFFAOYSA-N

Compound name

(methylsulfanylmethyldisulfanyl)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 153.99446 Da
Monoisotopic Mass: 2.0
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]+	155.00174	125.2
[M+Na]+	176.98368	132.8
[M-H]-	152.98718	125.0
[M+NH4]+	172.02828	146.4
[M+K]+	192.95762	128.4
[M+H-H2O]+	136.99172	120.0
[M+HCOO]-	198.99266	131.7
[M+CH3COO]-	213.00831	176.7
[M+Na-2H]-	174.96913	125.0
[M]+	153.99391	127.3
[M]-	153.99501	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe