CID 56935844

8r,11s-dihode

Structural Information

Molecular Formula
C18H32O4
SMILES
CCCCC/C=C\[C@@H](/C=C\[C@@H](CCCCCCC(=O)O)O)O
InChI
InChI=1S/C18H32O4/c1-2-3-4-5-8-11-16(19)14-15-17(20)12-9-6-7-10-13-18(21)22/h8,11,14-17,19-20H,2-7,9-10,12-13H2,1H3,(H,21,22)/b11-8-,15-14-/t16-,17+/m0/s1
InChIKey
PIQZTMSSBGKFNU-UZDJSAAESA-N
Compound name
(8R,9Z,11S,12Z)-8,11-dihydroxyoctadeca-9,12-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.23007 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.23735 183.9
[M+Na]+ 335.21929 185.0
[M-H]- 311.22279 177.9
[M+NH4]+ 330.26389 196.2
[M+K]+ 351.19323 180.6
[M+H-H2O]+ 295.22733 177.7
[M+HCOO]- 357.22827 197.7
[M+CH3COO]- 371.24392 202.0
[M+Na-2H]- 333.20474 179.3
[M]+ 312.22952 185.4
[M]- 312.23062 185.4
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.