CID 118796924

5,20-dihepe(1-)

Structural Information

Molecular Formula
C20H30O4
SMILES
C(CC(/C=C/C=C\C/C=C\C/C=C\C/C=C\CCO)O)CC(=O)O
InChI
InChI=1S/C20H30O4/c21-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19(22)16-14-17-20(23)24/h2-5,8-12,15,19,21-22H,1,6-7,13-14,16-18H2,(H,23,24)/b4-2-,5-3-,10-8-,11-9-,15-12+
InChIKey
YKIUQPPQZSVUED-OBYDOTQASA-N
Compound name
(6E,8Z,11Z,14Z,17Z)-5,20-dihydroxyicosa-6,8,11,14,17-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.21442 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.221696 187.8
[M+Na]+ 357.203638 189.5
[M-H]- 333.207144 181.6
[M+NH4]+ 352.248243 199.3
[M+K]+ 373.177578 182.2
[M+H-H2O]+ 317.211680 181.5
[M+HCOO]- 379.212621 202.7
[M+CH3COO]- 393.228271 202.8
[M+Na-2H]- 355.189086 183.7
[M]+ 334.21387142 188.5
[M]- 334.21496858 188.5
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.