CID 157009856

Hexa-1,5-dienyl trisulfide

Structural Information

Molecular Formula

C₆H₁₀S₃

SMILES

C=CCC/C=C/SSS

InChI

InChI=1S/C6H10S3/c1-2-3-4-5-6-8-9-7/h2,5-7H,1,3-4H2/b6-5+

InChIKey

UHZPAMDDFODOJH-AATRIKPKSA-N

Compound name

(1E)-1-(trisulfanyl)hexa-1,5-diene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.99446 Da
Monoisotopic Mass: 3.1
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]+	179.00174	136.1
[M+Na]+	200.98368	145.1
[M+NH4]+	196.02828	145.3
[M+K]+	216.95762	133.2
[M-H]-	176.98718	136.9
[M+Na-2H]-	198.96913	137.3
[M]+	177.99391	138.9
[M]-	177.99501	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.