CID 170756

1-undecanesulfonic acid sodium salt

Structural Information

Molecular Formula
C11H24O3S
SMILES
CCCCCCCCCCCS(=O)(=O)O
InChI
InChI=1S/C11H24O3S/c1-2-3-4-5-6-7-8-9-10-11-15(12,13)14/h2-11H2,1H3,(H,12,13,14)
InChIKey
SJEYEFOHSMBQIX-UHFFFAOYSA-N
Compound name
undecane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1182
Patents

236.14462 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15190 156.3
[M+Na]+ 259.13384 161.7
[M-H]- 235.13734 154.5
[M+NH4]+ 254.17844 174.1
[M+K]+ 275.10778 158.6
[M+H-H2O]+ 219.14188 151.0
[M+HCOO]- 281.14282 171.1
[M+CH3COO]- 295.15847 188.0
[M+Na-2H]- 257.11929 157.6
[M]+ 236.14407 162.0
[M]- 236.14517 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe