CID 52929816

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

Structural Information

Molecular Formula
C27H48O2
SMILES
CC(C)CCCC(C)/C=C\CC(C)CCCC/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C27H48O2/c1-24(2)18-16-20-26(4)22-17-21-25(3)19-14-12-10-8-6-5-7-9-11-13-15-23-27(28)29/h6,8-9,11,17,22,24-26H,5,7,10,12-16,18-21,23H2,1-4H3,(H,28,29)/b8-6-,11-9-,22-17-
InChIKey
PRGDQWKNVBYEKH-IZJJPQSLSA-N
Compound name
(5Z,9Z,17Z)-15,19,23-trimethyltetracosa-5,9,17-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.36542 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.37270 216.0
[M+Na]+ 427.35464 214.7
[M-H]- 403.35814 211.5
[M+NH4]+ 422.39924 214.1
[M+K]+ 443.32858 208.6
[M+H-H2O]+ 387.36268 208.7
[M+HCOO]- 449.36362 216.4
[M+CH3COO]- 463.37927 228.9
[M+Na-2H]- 425.34009 206.6
[M]+ 404.36487 220.6
[M]- 404.36597 220.6
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.