CID 16315

Diallyl trisulfide

Structural Information

Molecular Formula

C₆H₁₀S₃

SMILES

C=CCSSSCC=C

InChI

InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-6H2

InChIKey

UBAXRAHSPKWNCX-UHFFFAOYSA-N

Compound name

3-(prop-2-enyltrisulfanyl)prop-1-ene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 379
References: 2563
Patents: 177.99446 Da
Monoisotopic Mass: 2.6
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]+	179.001736	132.3
[M+Na]+	200.983678	139.7
[M-H]-	176.987184	131.8
[M+NH4]+	196.028283	152.4
[M+K]+	216.957618	133.5
[M+H-H2O]+	160.991720	126.9
[M+HCOO]-	222.992661	138.5
[M+CH3COO]-	237.008311	180.6
[M+Na-2H]-	198.969126	131.2
[M]+	177.99391142	133.8
[M]-	177.99500858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe