CID 81856

2-sulphoethyl laurate

Structural Information

Molecular Formula

C₁₄H₂₈O₅S

SMILES

CCCCCCCCCCCC(=O)OCCS(=O)(=O)O

InChI

InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-9-10-11-14(15)19-12-13-20(16,17)18/h2-13H2,1H3,(H,16,17,18)

InChIKey

UXPUMTCLHVWFKC-UHFFFAOYSA-N

Compound name

2-dodecanoyloxyethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4388
Patents: 308.16574 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]+	309.17302	175.4
[M+Na]+	331.15496	181.0
[M+NH4]+	326.19956	179.2
[M+K]+	347.12890	174.9
[M-H]-	307.15846	171.0
[M+Na-2H]-	329.14041	173.8
[M]+	308.16519	174.9
[M]-	308.16629	174.9

Literature stripe

literature stripe

Patent stripe

patents stripe