CID 6437873

15-hydroxyeicosatetraenoic acid

Structural Information

Molecular Formula
C20H32O3
SMILES
CCCCCC(CCCCC/C=C/C=C/C=C/C=C/C(=O)O)O
InChI
InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-6,8,10,12,15,18-19,21H,2-3,7,9,11,13-14,16-17H2,1H3,(H,22,23)/b5-4+,8-6+,12-10+,18-15+
InChIKey
GQHZVWMHPQXBIA-QYANQBPOSA-N
Compound name
(2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1322
Patents

320.23514 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.242416 186.3
[M+Na]+ 343.224358 188.1
[M-H]- 319.227864 181.5
[M+NH4]+ 338.268963 199.2
[M+K]+ 359.198298 181.7
[M+H-H2O]+ 303.232400 179.9
[M+HCOO]- 365.233341 202.2
[M+CH3COO]- 379.248991 204.7
[M+Na-2H]- 341.209806 182.5
[M]+ 320.23459142 188.2
[M]- 320.23568858 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe