CID 52929814

20:3(5z,9z,17z)(11me,15me,19me)

Structural Information

Molecular Formula
C23H40O2
SMILES
CC(C)/C=C\CC(C)CCCC(C)/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C23H40O2/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/h5,7,10,12,14-15,20-22H,6,8-9,11,13,16-19H2,1-4H3,(H,24,25)/b7-5-,14-12-,15-10-
InChIKey
CNLCUGBJDBKIAL-CFKNZRRFSA-N
Compound name
(5Z,9Z,17Z)-11,15,19-trimethylicosa-5,9,17-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.30283 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.31011 198.3
[M+Na]+ 371.29205 198.6
[M-H]- 347.29555 194.5
[M+NH4]+ 366.33665 210.8
[M+K]+ 387.26599 193.5
[M+H-H2O]+ 331.30009 191.6
[M+HCOO]- 393.30103 212.3
[M+CH3COO]- 407.31668 217.2
[M+Na-2H]- 369.27750 190.9
[M]+ 348.30228 201.4
[M]- 348.30338 201.4
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.