CID 13382

Diamyl sulfide

Structural Information

Molecular Formula

C₁₀H₂₂S

SMILES

CCCCCSCCCCC

InChI

InChI=1S/C10H22S/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3

InChIKey

JOZDADPMWLVEJK-UHFFFAOYSA-N

Compound name

1-pentylsulfanylpentane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 7906
Patents: 174.14423 Da
Monoisotopic Mass: 4.5
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]+	175.15151	141.7
[M+Na]+	197.13345	147.4
[M-H]-	173.13695	141.5
[M+NH4]+	192.17805	162.9
[M+K]+	213.10739	145.2
[M+H-H2O]+	157.14149	136.4
[M+HCOO]-	219.14243	158.7
[M+CH3COO]-	233.15808	183.5
[M+Na-2H]-	195.11890	143.1
[M]+	174.14368	146.6
[M]-	174.14478	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe