CID 6474664

Tosylate der.

Structural Information

Molecular Formula
C24H36O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C24H36O3S/c1-20(2)10-8-12-22(4)14-9-13-21(3)11-6-7-19-27-28(25,26)24-17-15-23(5)16-18-24/h10-11,14-18H,6-9,12-13,19H2,1-5H3/b21-11+,22-14+
InChIKey
DLIYKLLDVCLJFG-PXTALHNNSA-N
Compound name
[(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl] 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

404.23853 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.24581 202.1
[M+Na]+ 427.22775 204.9
[M-H]- 403.23125 203.8
[M+NH4]+ 422.27235 213.5
[M+K]+ 443.20169 198.9
[M+H-H2O]+ 387.23579 194.6
[M+HCOO]- 449.23673 213.5
[M+CH3COO]- 463.25238 223.6
[M+Na-2H]- 425.21320 196.7
[M]+ 404.23798 208.2
[M]- 404.23908 208.2
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.