CID 5352855

Allyl prop-1-enyl disulfide

Structural Information

Molecular Formula

C₆H₁₀S₂

SMILES

C/C=C/SSCC=C

InChI

InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+

InChIKey

KBXOGESWPIVMNJ-GQCTYLIASA-N

Compound name

(E)-1-(prop-2-enyldisulfanyl)prop-1-ene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 28
Patents: 146.0224 Da
Monoisotopic Mass: 2.3
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]+	147.02968	126.7
[M+Na]+	169.01162	134.6
[M-H]-	145.01512	127.1
[M+NH4]+	164.05622	148.8
[M+K]+	184.98556	130.7
[M+H-H2O]+	129.01966	121.9
[M+HCOO]-	191.02060	139.3
[M+CH3COO]-	205.03625	173.9
[M+Na-2H]-	166.99707	127.4
[M]+	146.02185	129.2
[M]-	146.02295	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe