CID 3023008

93941-93-6

Structural Information

Molecular Formula
C14H30O4S
SMILES
CCCCCCCCCCCCCC(O)S(=O)(=O)O
InChI
InChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)19(16,17)18/h14-15H,2-13H2,1H3,(H,16,17,18)
InChIKey
SBGWOQNQUNGBQG-UHFFFAOYSA-N
Compound name
1-hydroxytetradecane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

294.1865 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.193776 172.9
[M+Na]+ 317.175718 176.0
[M-H]- 293.179224 168.9
[M+NH4]+ 312.220323 187.3
[M+K]+ 333.149658 172.2
[M+H-H2O]+ 277.183760 167.0
[M+HCOO]- 339.184701 184.3
[M+CH3COO]- 353.200351 197.2
[M+Na-2H]- 315.161166 171.4
[M]+ 294.18595142 178.5
[M]- 294.18704858 178.5
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