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
1
Annotation Hits

0
References

41
Patents

266.15518 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.16246 164.7
[M+Na]+ 289.14440 170.7
[M+NH4]+ 284.18900 169.4
[M+K]+ 305.11834 164.9
[M-H]- 265.14790 160.7
[M+Na-2H]- 287.12985 163.6
[M]+ 266.15463 164.4
[M]- 266.15573 164.4
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