CID 71316263

1021188-24-8

Structural Information

Molecular Formula
C18H32O4
SMILES
C(CCCC/C=C\C=C\[C@H](CCCC(=O)O)O)CCCCO
InChI
InChI=1S/C18H32O4/c19-16-11-9-7-5-3-1-2-4-6-8-10-13-17(20)14-12-15-18(21)22/h6,8,10,13,17,19-20H,1-5,7,9,11-12,14-16H2,(H,21,22)/b8-6-,13-10+/t17-/m1/s1
InChIKey
RPFAXJQGBOULPA-CQLUAUNVSA-N
Compound name
(5S,6E,8Z)-5,18-dihydroxyoctadeca-6,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

312.23007 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.237346 183.3
[M+Na]+ 335.219288 184.6
[M-H]- 311.222794 177.2
[M+NH4]+ 330.263893 195.7
[M+K]+ 351.193228 179.7
[M+H-H2O]+ 295.227330 176.9
[M+HCOO]- 357.228271 198.1
[M+CH3COO]- 371.243921 201.2
[M+Na-2H]- 333.204736 180.0
[M]+ 312.22952142 185.5
[M]- 312.23061858 185.5
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.