CID 14505435

Tetracosapentaenoic acid (24:5n-6)

Structural Information

Molecular Formula
C24H38O2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O
InChI
InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-23H2,1H3,(H,25,26)/b7-6-,10-9-,13-12-,16-15-,19-18-
InChIKey
VENRYLMOFDSSDJ-WMPRHZDHSA-N
Compound name
(6Z,9Z,12Z,15Z,18Z)-tetracosa-6,9,12,15,18-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

186
Patents

358.28717 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.29445 198.1
[M+Na]+ 381.27639 199.4
[M-H]- 357.27989 194.0
[M+NH4]+ 376.32099 210.4
[M+K]+ 397.25033 191.3
[M+H-H2O]+ 341.28443 191.1
[M+HCOO]- 403.28537 215.2
[M+CH3COO]- 417.30102 215.0
[M+Na-2H]- 379.26184 194.1
[M]+ 358.28662 202.0
[M]- 358.28772 202.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe