CID 5283164

3r-hete

Structural Information

Molecular Formula
C20H32O3
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\C[C@H](CC(=O)O)O
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h6-7,9-10,12-13,15-16,19,21H,2-5,8,11,14,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-15-/t19-/m1/s1
InChIKey
HVJLGJXEWCPPDB-VXFQMENQSA-N
Compound name
(3R,5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.23514 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24242 186.3
[M+Na]+ 343.22436 188.1
[M-H]- 319.22786 181.5
[M+NH4]+ 338.26896 199.2
[M+K]+ 359.19830 181.7
[M+H-H2O]+ 303.23240 179.9
[M+HCOO]- 365.23334 202.2
[M+CH3COO]- 379.24899 204.7
[M+Na-2H]- 341.20981 182.5
[M]+ 320.23459 188.2
[M]- 320.23569 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.