CID 11617

Diallyl sulfide

Structural Information

Molecular Formula

C₆H₁₀S

SMILES

C=CCSCC=C

InChI

InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2

InChIKey

UBJVUCKUDDKUJF-UHFFFAOYSA-N

Compound name

3-prop-2-enylsulfanylprop-1-ene

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 690
References: 14364
Patents: 114.05032 Da
Monoisotopic Mass: 2.2
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]+	115.05760	124.6
[M+Na]+	137.03954	135.6
[M+NH4]+	132.08414	133.8
[M+K]+	153.01348	126.5
[M-H]-	113.04304	125.1
[M+Na-2H]-	135.02499	128.4
[M]+	114.04977	126.7
[M]-	114.05087	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe