CID 171119095

5z,8z,10e,12e,14z,17z-eicosahexaenoic acid

Structural Information

Molecular Formula
C20H28O2
SMILES
CC/C=C\C/C=C\C=C\C=C\C=C/C/C=C\CCCC(=O)O
InChI
InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-13,15-16H,2,5,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,9-8+,11-10+,13-12-,16-15-
InChIKey
WNCVJOFMGDZIRT-UCDJHDFISA-N
Compound name
(5Z,8Z,10E,12E,14Z,17Z)-icosa-5,8,10,12,14,17-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.20892 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 179.0
[M+Na]+ 323.19814 182.4
[M-H]- 299.20164 175.8
[M+NH4]+ 318.24274 193.7
[M+K]+ 339.17208 174.7
[M+H-H2O]+ 283.20618 172.9
[M+HCOO]- 345.20712 197.8
[M+CH3COO]- 359.22277 201.5
[M+Na-2H]- 321.18359 177.2
[M]+ 300.20837 180.6
[M]- 300.20947 180.6
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

No patent data available for this compound.