CID 5282845

8,12,16,19-docosatetraenoic acid

Structural Information

Molecular Formula
C22H36O2
SMILES
CC/C=C/C/C=C/CC/C=C/CC/C=C/CCCCCCC(=O)O
InChI
InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,10-11,14-15H,2,5,8-9,12-13,16-21H2,1H3,(H,23,24)/b4-3+,7-6+,11-10+,15-14+
InChIKey
SGTUDMPUJCDZHD-RDQFZKTJSA-N
Compound name
(8E,12E,16E,19E)-docosa-8,12,16,19-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

370
Patents

332.27155 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27883 191.0
[M+Na]+ 355.26077 192.7
[M-H]- 331.26427 187.2
[M+NH4]+ 350.30537 204.3
[M+K]+ 371.23471 185.7
[M+H-H2O]+ 315.26881 184.2
[M+HCOO]- 377.26975 208.6
[M+CH3COO]- 391.28540 210.5
[M+Na-2H]- 353.24622 188.0
[M]+ 332.27100 194.9
[M]- 332.27210 194.9
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