CID 3246864

80445-66-5

Structural Information

Molecular Formula
C20H30O4
SMILES
CCC=CCC=CC[C@H](C=CC=CC=C[C@H](CCCC(=O)O)O)O
InChI
InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/t18-,19-/m1/s1
InChIKey
BISQPGCQOHLHQK-RTBURBONSA-N
Compound name
(5S,12R)-5,12-dihydroxyicosa-6,8,10,14,17-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

57
References

281
Patents

334.21442 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.22170 188.6
[M+Na]+ 357.20364 193.1
[M+NH4]+ 352.24824 187.5
[M+K]+ 373.17758 187.7
[M-H]- 333.20714 182.7
[M+Na-2H]- 355.18909 184.6
[M]+ 334.21387 186.7
[M]- 334.21497 186.7
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.