CID 94394

Alvison 8

Structural Information

Molecular Formula

C₁₀H₂₀O₂S

SMILES

CCCCCCCCS(=O)(=O)C=C

InChI

InChI=1S/C10H20O2S/c1-3-5-6-7-8-9-10-13(11,12)4-2/h4H,2-3,5-10H2,1H3

InChIKey

KWFGVRYYABRBHO-UHFFFAOYSA-N

Compound name

1-ethenylsulfonyloctane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 204.11841 Da
Monoisotopic Mass: 3.5
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]+	205.12569	146.8
[M+Na]+	227.10763	153.5
[M-H]-	203.11113	146.8
[M+NH4]+	222.15223	166.6
[M+K]+	243.08157	150.6
[M+H-H2O]+	187.11567	141.8
[M+HCOO]-	249.11661	163.4
[M+CH3COO]-	263.13226	184.8
[M+Na-2H]-	225.09308	149.0
[M]+	204.11786	152.0
[M]-	204.11896	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe