CID 122546

Disodium 2-sulfomyristate

Structural Information

Molecular Formula

C₁₄H₂₈O₅S

SMILES

CCCCCCCCCCCCC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13(14(15)16)20(17,18)19/h13H,2-12H2,1H3,(H,15,16)(H,17,18,19)

InChIKey

WOHIIBNOBPKOGA-UHFFFAOYSA-N

Compound name

2-sulfotetradecanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1308
Patents: 308.16574 Da
Monoisotopic Mass: 4.9
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]+	309.17302	175.0
[M+Na]+	331.15496	179.7
[M+NH4]+	326.19956	178.3
[M+K]+	347.12890	174.8
[M-H]-	307.15846	169.8
[M+Na-2H]-	329.14041	172.6
[M]+	308.16519	174.1
[M]-	308.16629	174.1

Literature stripe

literature stripe

Patent stripe

patents stripe