CID 5282851

4,8,12,15,19,21-tetracosahexaenoic acid

Structural Information

Molecular Formula
C24H36O2
SMILES
CC/C=C/C=C/CC/C=C/C/C=C/CC/C=C/CC/C=C/CCC(=O)O
InChI
InChI=1S/C24H36O2/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/h3-6,9-10,12-13,16-17,20-21H,2,7-8,11,14-15,18-19,22-23H2,1H3,(H,25,26)/b4-3+,6-5+,10-9+,13-12+,17-16+,21-20+
InChIKey
VIEVDWQLJOPJTP-FWMXRSOJSA-N
Compound name
(4E,8E,12E,15E,19E,21E)-tetracosa-4,8,12,15,19,21-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

356.27155 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.27883 196.5
[M+Na]+ 379.26077 198.2
[M-H]- 355.26427 192.5
[M+NH4]+ 374.30537 208.8
[M+K]+ 395.23471 189.5
[M+H-H2O]+ 339.26881 189.6
[M+HCOO]- 401.26975 213.9
[M+CH3COO]- 415.28540 213.6
[M+Na-2H]- 377.24622 192.6
[M]+ 356.27100 199.6
[M]- 356.27210 199.6
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

patents stripe