CID 50023

Sodium 1-tetradecanesulfonate

Structural Information

Molecular Formula

C₁₄H₃₀O₃S

SMILES

CCCCCCCCCCCCCCS(=O)(=O)O

InChI

InChI=1S/C14H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3,(H,15,16,17)

InChIKey

MYOWBHNETUSQPA-UHFFFAOYSA-N

Compound name

tetradecane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5075
Patents: 278.19156 Da
Monoisotopic Mass: 5.8
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]+	279.19884	169.4
[M+Na]+	301.18078	173.5
[M-H]-	277.18428	167.0
[M+NH4]+	296.22538	185.4
[M+K]+	317.15472	169.6
[M+H-H2O]+	261.18882	163.5
[M+HCOO]-	323.18976	183.2
[M+CH3COO]-	337.20541	197.0
[M+Na-2H]-	299.16623	169.3
[M]+	278.19101	176.2
[M]-	278.19211	176.2

Literature stripe

literature stripe

Patent stripe

patents stripe