CID 52921813

8z,11z,14z,17z,20z,23z-hexacosahexaenoic acid

Structural Information

Molecular Formula
C26H40O2
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O
InChI
InChI=1S/C26H40O2/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/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-25H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKey
GLEIIPZRQAMQLG-KUBAVDMBSA-N
Compound name
(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-8,11,14,17,20,23-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.30283 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.31011 205.1
[M+Na]+ 407.29205 205.9
[M-H]- 383.29555 200.7
[M+NH4]+ 402.33665 216.3
[M+K]+ 423.26599 196.7
[M+H-H2O]+ 367.30009 197.8
[M+HCOO]- 429.30103 221.8
[M+CH3COO]- 443.31668 219.5
[M+Na-2H]- 405.27750 200.2
[M]+ 384.30228 209.0
[M]- 384.30338 209.0
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.