CID 16061119

14,15-dihete

Structural Information

Molecular Formula
C20H32O4
SMILES
CC/C=C\CC(C(C/C=C\C/C=C\C/C=C\CCCC(=O)O)O)O
InChI
InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18-19,21-22H,2,5,8,11,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,12-3-,13-10-
InChIKey
BLWCDFIELVFRJY-QXBXTPPVSA-N
Compound name
(5Z,8Z,11Z,17Z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

43
Patents

336.23007 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.237346 189.8
[M+Na]+ 359.219288 190.9
[M-H]- 335.222794 183.6
[M+NH4]+ 354.263893 201.2
[M+K]+ 375.193228 184.8
[M+H-H2O]+ 319.227330 183.5
[M+HCOO]- 381.228271 203.5
[M+CH3COO]- 395.243921 205.1
[M+Na-2H]- 357.204736 184.3
[M]+ 336.22952142 190.6
[M]- 336.23061858 190.6
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