CID 139596950

C10-dialkyl tetralin sulfonate

Structural Information

Molecular Formula
C16H24O3S
SMILES
CCCCCC1CCC(C2=C1C=C(C=C2)S(=O)(=O)O)C
InChI
InChI=1S/C16H24O3S/c1-3-4-5-6-13-8-7-12(2)15-10-9-14(11-16(13)15)20(17,18)19/h9-13H,3-8H2,1-2H3,(H,17,18,19)
InChIKey
RNUUGPYDXUVEBT-UHFFFAOYSA-N
Compound name
5-methyl-8-pentyl-5,6,7,8-tetrahydronaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14462 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15190 167.5
[M+Na]+ 319.13384 174.1
[M-H]- 295.13734 170.0
[M+NH4]+ 314.17844 184.2
[M+K]+ 335.10778 169.5
[M+H-H2O]+ 279.14188 161.8
[M+HCOO]- 341.14282 179.4
[M+CH3COO]- 355.15847 200.2
[M+Na-2H]- 317.11929 169.2
[M]+ 296.14407 170.0
[M]- 296.14517 170.0
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.