CID 77117

Bis(2-mercaptoethyl) sulfide

Structural Information

Molecular Formula

C₄H₁₀S₃

SMILES

C(CSCCS)S

InChI

InChI=1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2

InChIKey

KSJBMDCFYZKAFH-UHFFFAOYSA-N

Compound name

2-(2-sulfanylethylsulfanyl)ethanethiol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1887
References: 7127
Patents: 153.99446 Da
Monoisotopic Mass: 1.5
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	127.4
[M+Na]+	176.98368	136.8
[M+NH4]+	172.02828	137.5
[M+K]+	192.95762	125.6
[M-H]-	152.98718	128.8
[M+Na-2H]-	174.96913	129.4
[M]+	153.99391	130.5
[M]-	153.99501	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe