CID 20165310

Avanel s 150

Structural Information

Molecular Formula

C₁₄H₃₀O₄S

SMILES

CCCCCCCCCCCCOCCS(=O)(=O)O

InChI

InChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19(15,16)17/h2-14H2,1H3,(H,15,16,17)

InChIKey

SDRIHJRTQCKZOJ-UHFFFAOYSA-N

Compound name

2-dodecoxyethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 294.1865 Da
Monoisotopic Mass: 4.5
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]+	295.19378	173.1
[M+Na]+	317.17572	179.6
[M+NH4]+	312.22032	177.9
[M+K]+	333.14966	172.2
[M-H]-	293.17922	169.7
[M+Na-2H]-	315.16117	172.4
[M]+	294.18595	173.2
[M]-	294.18705	173.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe