CID 170756

Sodium 1-undecanesulfonate

Structural Information

Molecular Formula

C₁₁H₂₄O₃S

SMILES

CCCCCCCCCCCS(=O)(=O)O

InChI

InChI=1S/C11H24O3S/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14/h2-11H2,1H3,(H,12,13,14)

InChIKey

SJEYEFOHSMBQIX-UHFFFAOYSA-N

Compound name

undecane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 1001
Patents: 236.14462 Da
Monoisotopic Mass: 4.2
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]+	237.15190	157.6
[M+Na]+	259.13384	165.2
[M+NH4]+	254.17844	163.6
[M+K]+	275.10778	158.0
[M-H]-	235.13734	155.0
[M+Na-2H]-	257.11929	158.1
[M]+	236.14407	158.1
[M]-	236.14517	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe