CID 78495

Propane-1,2,3-trithiol

Structural Information

Molecular Formula

C₃H₈S₃

SMILES

C(C(CS)S)S

InChI

InChI=1S/C3H8S3/c4-1-3(6)2-5/h3-6H,1-2H2

InChIKey

UWHMFGKZAYHMDJ-UHFFFAOYSA-N

Compound name

propane-1,2,3-trithiol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 4326
Patents: 139.97882 Da
Monoisotopic Mass: 1.2
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]+	140.98610	124.1
[M+Na]+	162.96804	133.3
[M+NH4]+	158.01264	134.2
[M+K]+	178.94198	123.0
[M-H]-	138.97154	125.4
[M+Na-2H]-	160.95349	126.0
[M]+	139.97827	127.1
[M]-	139.97937	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe