CID 5370448

Di-1-propenyl sulfide

Structural Information

Molecular Formula

C₆H₁₀S

SMILES

C/C=C/S/C=C/C

InChI

InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-6H,1-2H3/b5-3+,6-4+

InChIKey

RJDJXOBGMMKPMH-GGWOSOGESA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 600
Patents: 114.05032 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]+	115.05760	121.7
[M+Na]+	137.03954	129.8
[M-H]-	113.04304	122.5
[M+NH4]+	132.08414	145.3
[M+K]+	153.01348	127.6
[M+H-H2O]+	97.047580	117.5
[M+HCOO]-	159.04852	140.4
[M+CH3COO]-	173.06417	168.1
[M+Na-2H]-	135.02499	125.2
[M]+	114.04977	123.5
[M]-	114.05087	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe