CID 5352909

Trisulfide, (1e)-1-propenyl 2-propenyl

Structural Information

Molecular Formula

C₆H₁₀S₃

SMILES

C/C=C/SSSCC=C

InChI

InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+

InChIKey

ABXMBMQLMGNKES-GQCTYLIASA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.99446 Da
Monoisotopic Mass: 2.7
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	132.5
[M+Na]+	200.983678	139.9
[M-H]-	176.987184	132.0
[M+NH4]+	196.028283	152.6
[M+K]+	216.957618	133.8
[M+H-H2O]+	160.991720	127.1
[M+HCOO]-	222.992661	138.7
[M+CH3COO]-	237.008311	180.0
[M+Na-2H]-	198.969126	131.4
[M]+	177.99391142	133.9
[M]-	177.99500858	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe