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]+ 313.23735 183.3
[M+Na]+ 335.21929 184.6
[M-H]- 311.22279 177.2
[M+NH4]+ 330.26389 195.7
[M+K]+ 351.19323 179.7
[M+H-H2O]+ 295.22733 176.9
[M+HCOO]- 357.22827 198.1
[M+CH3COO]- 371.24392 201.2
[M+Na-2H]- 333.20474 180.0
[M]+ 312.22952 185.5
[M]- 312.23062 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.