CID 52921800

Tetracosatetraenoic acid (24:4n-6)

Structural Information

Molecular Formula
C24H40O2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C24H40O2/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/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-23H2,1H3,(H,25,26)/b7-6-,10-9-,13-12-,16-15-
InChIKey
MMJZTSLHOIGZPU-DOFZRALJSA-N
Compound name
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

188
Patents

360.30283 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.31011 200.3
[M+Na]+ 383.29205 206.6
[M+NH4]+ 378.33665 199.1
[M+K]+ 399.26599 197.1
[M-H]- 359.29555 197.1
[M+Na-2H]- 381.27750 198.2
[M]+ 360.30228 199.7
[M]- 360.30338 199.7
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