CID 25454

Sodium tetradecenesulphonate

Structural Information

Molecular Formula

C₁₄H₃₀O₃S

SMILES

CCCCCCCCCCCC(CC)S(=O)(=O)O

InChI

InChI=1S/C14H30O3S/c1-3-5-6-7-8-9-10-11-12-13-14(4-2)18(15,16)17/h14H,3-13H2,1-2H3,(H,15,16,17)

InChIKey

IZPBDTGBIMUEQM-UHFFFAOYSA-N

Compound name

tetradecane-3-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 5
Patents: 278.19156 Da
Monoisotopic Mass: 5.7
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]+	279.198836	169.6
[M+Na]+	301.180778	173.4
[M-H]-	277.184284	167.3
[M+NH4]+	296.225383	185.6
[M+K]+	317.154718	170.1
[M+H-H2O]+	261.188820	163.8
[M+HCOO]-	323.189761	182.4
[M+CH3COO]-	337.205411	197.7
[M+Na-2H]-	299.166226	168.4
[M]+	278.19101142	175.8
[M]-	278.19210858	175.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe