CID 521477

Ethyl isopropyl disulfide

Structural Information

Molecular Formula

C₅H₁₂S₂

SMILES

CCSSC(C)C

InChI

InChI=1S/C5H12S2/c1-4-6-7-5(2)3/h5H,4H2,1-3H3

InChIKey

PUUCPZKSTXFGOC-UHFFFAOYSA-N

Compound name

2-(ethyldisulfanyl)propane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 123
Patents: 136.03804 Da
Monoisotopic Mass: 2.1
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]+	137.04532	124.4
[M+Na]+	159.02726	131.7
[M-H]-	135.03076	124.9
[M+NH4]+	154.07186	146.9
[M+K]+	175.00120	129.7
[M+H-H2O]+	119.03530	119.6
[M+HCOO]-	181.03624	135.9
[M+CH3COO]-	195.05189	174.3
[M+Na-2H]-	157.01271	124.6
[M]+	136.03749	127.4
[M]-	136.03859	127.4

Literature stripe

literature stripe

Patent stripe

patents stripe