CID 52921802

11z,14z,17z,20z-hexacosatetraenoic acid

Structural Information

Molecular Formula
C26H44O2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O
InChI
InChI=1S/C26H44O2/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(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-25H2,1H3,(H,27,28)/b7-6-,10-9-,13-12-,16-15-
InChIKey
ICYODDOZZLYLIV-DOFZRALJSA-N
Compound name
(11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.33414 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.34142 208.3
[M+Na]+ 411.32336 208.3
[M-H]- 387.32686 203.7
[M+NH4]+ 406.36796 219.3
[M+K]+ 427.29730 200.3
[M+H-H2O]+ 371.33140 200.7
[M+HCOO]- 433.33234 224.5
[M+CH3COO]- 447.34799 222.4
[M+Na-2H]- 409.30881 203.2
[M]+ 388.33359 213.7
[M]- 388.33469 213.7
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.