CID 73892678

C17-sas

Structural Information

Molecular Formula
C17H36O3S
SMILES
CCCCCCCCCCC(CCCCCC)S(=O)(=O)O
InChI
InChI=1S/C17H36O3S/c1-3-5-7-9-10-11-12-14-16-17(21(18,19)20)15-13-8-6-4-2/h17H,3-16H2,1-2H3,(H,18,19,20)
InChIKey
YRQQPWVBSQEBPW-UHFFFAOYSA-N
Compound name
heptadecane-7-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.23853 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24581 182.7
[M+Na]+ 343.22775 185.2
[M-H]- 319.23125 179.7
[M+NH4]+ 338.27235 196.9
[M+K]+ 359.20169 181.1
[M+H-H2O]+ 303.23579 176.3
[M+HCOO]- 365.23673 194.5
[M+CH3COO]- 379.25238 206.7
[M+Na-2H]- 341.21320 180.0
[M]+ 320.23798 190.0
[M]- 320.23908 190.0
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.