CID 20387159

1-dodecanesulfonic acid, 3-hydroxy-, monosodium salt

Structural Information

Molecular Formula
C12H26O4S
SMILES
CCCCCCCCCC(CCS(=O)(=O)O)O
InChI
InChI=1S/C12H26O4S/c1-2-3-4-5-6-7-8-9-12(13)10-11-17(14,15)16/h12-13H,2-11H2,1H3,(H,14,15,16)
InChIKey
GWNOFXUSKXPWMM-UHFFFAOYSA-N
Compound name
3-hydroxydodecane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

266.15518 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.162456 164.2
[M+Na]+ 289.144398 168.2
[M-H]- 265.147904 160.6
[M+NH4]+ 284.189003 179.7
[M+K]+ 305.118338 164.9
[M+H-H2O]+ 249.152440 158.7
[M+HCOO]- 311.153381 176.3
[M+CH3COO]- 325.169031 191.2
[M+Na-2H]- 287.129846 163.6
[M]+ 266.15463142 169.1
[M]- 266.15572858 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe