CID 525329

Allyl methyl tetrasulfide

Structural Information

Molecular Formula

C₄H₈S₄

SMILES

CSSSSCC=C

InChI

InChI=1S/C4H8S4/c1-3-4-6-8-7-5-2/h3H,1,4H2,2H3

InChIKey

BHIKXWJMZCALEK-UHFFFAOYSA-N

Compound name

3-(methyltetrasulfanyl)prop-1-ene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 2
References: 20
Patents: 183.95088 Da
Monoisotopic Mass: 2.4
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]+	184.958156	133.1
[M+Na]+	206.940098	140.5
[M-H]-	182.943604	131.5
[M+NH4]+	201.984703	151.8
[M+K]+	222.914038	132.6
[M+H-H2O]+	166.948140	127.3
[M+HCOO]-	228.949081	133.2
[M+CH3COO]-	242.964731	182.8
[M+Na-2H]-	204.925546	131.9
[M]+	183.95033142	132.0
[M]-	183.95142858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe