CID 10308071

Methylallyl hexasulfide

Structural Information

Molecular Formula

C₄H₈S₆

SMILES

CSSSSSSCC=C

InChI

InChI=1S/C4H8S6/c1-3-4-6-8-10-9-7-5-2/h3H,1,4H2,2H3

InChIKey

YMBHHVFKVLAMOS-UHFFFAOYSA-N

Compound name

3-(methylhexasulfanyl)prop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 247.89503 Da
Monoisotopic Mass: 3.3
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]+	248.90231	161.4
[M+Na]+	270.88425	167.2
[M-H]-	246.88775	156.2
[M+NH4]+	265.92885	174.2
[M+K]+	286.85819	153.0
[M+H-H2O]+	230.89229	154.0
[M+HCOO]-	292.89323	149.2
[M+CH3COO]-	306.90888	197.8
[M+Na-2H]-	268.86970	159.8
[M]+	247.89448	151.7
[M]-	247.89558	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe