CID 151456

2-hydroxyethyloctylsulfoxide

Structural Information

Molecular Formula

C₁₀H₂₂O₂S

SMILES

CCCCCCCCS(=O)CCO

InChI

InChI=1S/C10H22O2S/c1-2-3-4-5-6-7-9-13(12)10-8-11/h11H,2-10H2,1H3

InChIKey

IRJUEMKMQDEOTQ-UHFFFAOYSA-N

Compound name

2-octylsulfinylethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 67
Patents: 206.13405 Da
Monoisotopic Mass: 2.0
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]+	207.14133	149.1
[M+Na]+	229.12327	154.1
[M-H]-	205.12677	147.3
[M+NH4]+	224.16787	168.0
[M+K]+	245.09721	151.5
[M+H-H2O]+	189.13131	143.6
[M+HCOO]-	251.13225	164.2
[M+CH3COO]-	265.14790	184.4
[M+Na-2H]-	227.10872	148.9
[M]+	206.13350	153.5
[M]-	206.13460	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe