CID 52929815

22:3(5z,9z,19z)(13me,17me,21me)

Structural Information

Molecular Formula
C25H44O2
SMILES
CC(C)/C=C\CC(C)CCCC(C)CC/C=C\CC/C=C\CCCC(=O)O
InChI
InChI=1S/C25H44O2/c1-22(2)16-14-18-24(4)20-15-19-23(3)17-12-10-8-6-5-7-9-11-13-21-25(26)27/h7-10,14,16,22-24H,5-6,11-13,15,17-21H2,1-4H3,(H,26,27)/b9-7-,10-8-,16-14-
InChIKey
LHDXYOPBJYRNES-TZPWFZHASA-N
Compound name
(5Z,9Z,19Z)-13,17,21-trimethyldocosa-5,9,19-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.33414 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.34142 207.2
[M+Na]+ 399.32336 206.7
[M-H]- 375.32686 203.0
[M+NH4]+ 394.36796 207.0
[M+K]+ 415.29730 201.1
[M+H-H2O]+ 359.33140 200.2
[M+HCOO]- 421.33234 209.9
[M+CH3COO]- 435.34799 223.1
[M+Na-2H]- 397.30881 198.8
[M]+ 376.33359 211.0
[M]- 376.33469 211.0
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.