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

3
Annotation Hits: 3
References: 4885
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]+	140.986096	121.6
[M+Na]+	162.968038	129.3
[M-H]-	138.971544	121.6
[M+NH4]+	158.012643	143.2
[M+K]+	178.941978	125.5
[M+H-H2O]+	122.976080	116.6
[M+HCOO]-	184.977021	127.2
[M+CH3COO]-	198.992671	174.6
[M+Na-2H]-	160.953486	121.0
[M]+	139.97827142	122.8
[M]-	139.97936858	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe