CID 52929825

24:3(5z,9z,17z)(11me,15me,19me,23me)

Structural Information

Molecular Formula
C28H50O2
SMILES
CC(C)CCCC(C)/C=C\CC(C)CCCC(C)/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C28H50O2/c1-24(2)16-13-18-26(4)20-15-22-27(5)21-14-19-25(3)17-11-9-7-6-8-10-12-23-28(29)30/h6,8,11,15,17,20,24-27H,7,9-10,12-14,16,18-19,21-23H2,1-5H3,(H,29,30)/b8-6-,17-11-,20-15-
InChIKey
YFZUHLGNZYWTSU-YJVUWYMYSA-N
Compound name
(5Z,9Z,17Z)-11,15,19,23-tetramethyltetracosa-5,9,17-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.38107 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.38835 220.4
[M+Na]+ 441.37029 218.5
[M-H]- 417.37379 206.1
[M+NH4]+ 436.41489 218.4
[M+K]+ 457.34423 212.6
[M+H-H2O]+ 401.37833 213.1
[M+HCOO]- 463.37927 216.4
[M+CH3COO]- 477.39492 232.6
[M+Na-2H]- 439.35574 209.3
[M]+ 418.38052 224.7
[M]- 418.38162 224.7
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.