CID 458286

Didodecyl sulfate

Structural Information

Molecular Formula

C₂₄H₅₀O₄S

SMILES

CCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCC

InChI

InChI=1S/C24H50O4S/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3

InChIKey

DSAJRCNSPOSHPL-UHFFFAOYSA-N

Compound name

didodecyl sulfate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 90681
Patents: 434.343 Da
Monoisotopic Mass: 10.9
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]+	435.35028	214.8
[M+Na]+	457.33222	214.9
[M-H]-	433.33572	211.8
[M+NH4]+	452.37682	220.5
[M+K]+	473.30616	210.1
[M+H-H2O]+	417.34026	206.6
[M+HCOO]-	479.34120	235.3
[M+CH3COO]-	493.35685	230.9
[M+Na-2H]-	455.31767	210.7
[M]+	434.34245	228.7
[M]-	434.34355	228.7

Literature stripe

literature stripe

Patent stripe

patents stripe