CID 45104915

5(s),11(r)-dihete(1-)

Structural Information

Molecular Formula
C20H32O4
SMILES
CCCCC/C=C\C=C\[C@@H](C/C=C\C=C\[C@H](CCCC(=O)O)O)O
InChI
InChI=1S/C20H32O4/c1-2-3-4-5-6-7-9-13-18(21)14-10-8-11-15-19(22)16-12-17-20(23)24/h6-11,13,15,18-19,21-22H,2-5,12,14,16-17H2,1H3,(H,23,24)/b7-6-,10-8-,13-9+,15-11+/t18-,19+/m0/s1
InChIKey
GVBURXXHWSCJSI-ZZHGHEOFSA-N
Compound name
(5S,6E,8Z,11R,12E,14Z)-5,11-dihydroxyicosa-6,8,12,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

336.23007 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23735 189.4
[M+Na]+ 359.21929 193.7
[M+NH4]+ 354.26389 190.4
[M+K]+ 375.19323 188.5
[M-H]- 335.22279 183.7
[M+Na-2H]- 357.20474 185.5
[M]+ 336.22952 187.5
[M]- 336.23062 187.5
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