CID 52929823

24:2(5z,9z)(11me,15me,19me,23me)

Structural Information

Molecular Formula
C28H52O2
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C28H52O2/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/h6,8,11,17,24-27H,7,9-10,12-16,18-23H2,1-5H3,(H,29,30)/b8-6-,17-11-
InChIKey
PCJNPOCWIRLPDQ-KQDPFKFSSA-N
Compound name
(5Z,9Z)-11,15,19,23-tetramethyltetracosa-5,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.39673 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.40401 222.2
[M+Na]+ 443.38595 219.9
[M-H]- 419.38945 207.5
[M+NH4]+ 438.43055 220.3
[M+K]+ 459.35989 214.6
[M+H-H2O]+ 403.39399 214.7
[M+HCOO]- 465.39493 217.7
[M+CH3COO]- 479.41058 234.1
[M+Na-2H]- 441.37140 211.0
[M]+ 420.39618 227.3
[M]- 420.39728 227.3
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.