CID 5352855

Dtxsid401294515

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

5
Annotation Hits: 1
References: 48
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]+	147.029676	126.7
[M+Na]+	169.011618	134.6
[M-H]-	145.015124	127.1
[M+NH4]+	164.056223	148.8
[M+K]+	184.985558	130.7
[M+H-H2O]+	129.019660	121.9
[M+HCOO]-	191.020601	139.3
[M+CH3COO]-	205.036251	173.9
[M+Na-2H]-	166.997066	127.4
[M]+	146.02185142	129.2
[M]-	146.02294858	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe