CID 528709

Methyl propyl tetrasulfide

Structural Information

Molecular Formula

C₄H₁₀S₄

SMILES

CCCSSSSC

InChI

InChI=1S/C4H10S4/c1-3-4-6-8-7-5-2/h3-4H2,1-2H3

InChIKey

QQHQQGRHGUQYLO-UHFFFAOYSA-N

Compound name

1-(methyltetrasulfanyl)propane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 185.96654 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]+	186.97382	133.0
[M+Na]+	208.95576	140.2
[M-H]-	184.95926	131.5
[M+NH4]+	204.00036	151.8
[M+K]+	224.92970	132.9
[M+H-H2O]+	168.96380	127.2
[M+HCOO]-	230.96474	133.0
[M+CH3COO]-	244.98039	183.6
[M+Na-2H]-	206.94121	131.9
[M]+	185.96599	132.6
[M]-	185.96709	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe