CID 74806

Diamyl sulfoxide

Structural Information

Molecular Formula

C₁₀H₂₂OS

SMILES

CCCCCS(=O)CCCCC

InChI

InChI=1S/C10H22OS/c1-3-5-7-9-12(11)10-8-6-4-2/h3-10H2,1-2H3

InChIKey

LAAFGFCPKSXKEM-UHFFFAOYSA-N

Compound name

1-pentylsulfinylpentane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4971
Patents: 190.13913 Da
Monoisotopic Mass: 2.8
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]+	191.14641	145.2
[M+Na]+	213.12835	150.7
[M-H]-	189.13185	145.0
[M+NH4]+	208.17295	165.5
[M+K]+	229.10229	148.8
[M+H-H2O]+	173.13639	139.7
[M+HCOO]-	235.13733	161.6
[M+CH3COO]-	249.15298	185.2
[M+Na-2H]-	211.11380	145.4
[M]+	190.13858	150.1
[M]-	190.13968	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe