CID 9883083

(10e,12e,14e)-9-hydroxy-16-oxooctadeca-10,12,14-trienoic acid

Structural Information

Molecular Formula
C18H28O4
SMILES
CCC(=O)/C=C/C=C/C=C/C(CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H28O4/c1-2-16(19)12-8-6-7-10-14-17(20)13-9-4-3-5-11-15-18(21)22/h6-8,10,12,14,17,20H,2-5,9,11,13,15H2,1H3,(H,21,22)/b7-6+,12-8+,14-10+
InChIKey
FCCFXOHVERVHQR-KDXRDGMUSA-N
Compound name
(10E,12E,14E)-9-hydroxy-16-oxooctadeca-10,12,14-trienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

308.19876 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.20604 180.1
[M+Na]+ 331.18798 182.4
[M-H]- 307.19148 175.7
[M+NH4]+ 326.23258 193.3
[M+K]+ 347.16192 177.7
[M+H-H2O]+ 291.19602 174.0
[M+HCOO]- 353.19696 196.0
[M+CH3COO]- 367.21261 202.2
[M+Na-2H]- 329.17343 176.3
[M]+ 308.19821 182.2
[M]- 308.19931 182.2
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

No patent data available for this compound.