CID 101972064

C14-sas

Structural Information

Molecular Formula
C14H30O3S
SMILES
CCCCCCCCCC(CCCC)S(=O)(=O)O
InChI
InChI=1S/C14H30O3S/c1-3-5-7-8-9-10-11-13-14(12-6-4-2)18(15,16)17/h14H,3-13H2,1-2H3,(H,15,16,17)
InChIKey
BTPXRGIPAXXPNB-UHFFFAOYSA-N
Compound name
tetradecane-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.19156 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.198836 169.6
[M+Na]+ 301.180778 173.4
[M-H]- 277.184284 167.3
[M+NH4]+ 296.225383 185.6
[M+K]+ 317.154718 170.1
[M+H-H2O]+ 261.188820 163.8
[M+HCOO]- 323.189761 182.4
[M+CH3COO]- 337.205411 197.7
[M+Na-2H]- 299.166226 168.4
[M]+ 278.19101142 175.8
[M]- 278.19210858 175.8
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

No patent data available for this compound.