CID 52929812

20:2(5z,9z)(11me,15me,19me)

Structural Information

Molecular Formula
C23H42O2
SMILES
CC(C)CCCC(C)CCCC(C)/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C23H42O2/c1-20(2)14-12-16-22(4)18-13-17-21(3)15-10-8-6-5-7-9-11-19-23(24)25/h5,7,10,15,20-22H,6,8-9,11-14,16-19H2,1-4H3,(H,24,25)/b7-5-,15-10-
InChIKey
GAAXOKKROCNDSI-UBAIFNMZSA-N
Compound name
(5Z,9Z)-11,15,19-trimethylicosa-5,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.31848 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.32576 200.0
[M+Na]+ 373.30770 199.9
[M-H]- 349.31120 196.1
[M+NH4]+ 368.35230 212.4
[M+K]+ 389.28164 195.4
[M+H-H2O]+ 333.31574 193.2
[M+HCOO]- 395.31668 213.8
[M+CH3COO]- 409.33233 218.7
[M+Na-2H]- 371.29315 192.6
[M]+ 350.31793 203.8
[M]- 350.31903 203.8
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.