CID 101972043

C11-sas

Structural Information

Molecular Formula

C₁₁H₂₄O₃S

SMILES

CCCCCCC(CCCC)S(=O)(=O)O

InChI

InChI=1S/C11H24O3S/c1-3-5-7-8-10-11(9-6-4-2)15(12,13)14/h11H,3-10H2,1-2H3,(H,12,13,14)

InChIKey

IWZVUKJVPRJMCV-UHFFFAOYSA-N

Compound name

undecane-5-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.14462 Da
Monoisotopic Mass: 3.8
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]+	237.15190	156.4
[M+Na]+	259.13384	161.5
[M-H]-	235.13734	154.7
[M+NH4]+	254.17844	174.1
[M+K]+	275.10778	158.9
[M+H-H2O]+	219.14188	151.2
[M+HCOO]-	281.14282	170.1
[M+CH3COO]-	295.15847	188.8
[M+Na-2H]-	257.11929	156.6
[M]+	236.14407	161.5
[M]-	236.14517	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.