CID 3015057

1-dodecanesulfonic acid, 2(3-,4-,5-,6 or 7)-hydroxy-

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

294
Patents

266.15518 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.16246 164.2
[M+Na]+ 289.14440 168.2
[M-H]- 265.14790 160.6
[M+NH4]+ 284.18900 179.7
[M+K]+ 305.11834 164.9
[M+H-H2O]+ 249.15244 158.7
[M+HCOO]- 311.15338 176.3
[M+CH3COO]- 325.16903 191.2
[M+Na-2H]- 287.12985 163.6
[M]+ 266.15463 169.1
[M]- 266.15573 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