CID 5352793

Di-1-propenyl trisulfide

Structural Information

Molecular Formula

C₆H₁₀S₃

SMILES

C/C=C/SSS/C=C/C

InChI

InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-6H,1-2H3/b5-3+,6-4+

InChIKey

RWAJLLGQYHTAMT-GGWOSOGESA-N

Compound name

(E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 177.99446 Da
Monoisotopic Mass: 2.8
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	132.6
[M+Na]+	200.98368	140.2
[M-H]-	176.98718	132.2
[M+NH4]+	196.02828	152.9
[M+K]+	216.95762	134.0
[M+H-H2O]+	160.99172	127.3
[M+HCOO]-	222.99266	138.9
[M+CH3COO]-	237.00831	179.3
[M+Na-2H]-	198.96913	131.5
[M]+	177.99391	134.0
[M]-	177.99501	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe