CID 25755602

5s,8r-dihode

Structural Information

Molecular Formula
C18H32O4
SMILES
CCCCC/C=C\C/C=C\[C@@H](CC[C@H](CCCC(=O)O)O)O
InChI
InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h6-7,9,11,16-17,19-20H,2-5,8,10,12-15H2,1H3,(H,21,22)/b7-6-,11-9-/t16-,17-/m0/s1
InChIKey
CVXOCQUHJDKXHR-JFKQHRMJSA-N
Compound name
(5S,8R,9Z,12Z)-5,8-dihydroxyoctadeca-9,12-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

312.23007 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.237346 183.9
[M+Na]+ 335.219288 185.0
[M-H]- 311.222794 177.9
[M+NH4]+ 330.263893 196.2
[M+K]+ 351.193228 180.6
[M+H-H2O]+ 295.227330 177.7
[M+HCOO]- 357.228271 197.7
[M+CH3COO]- 371.243921 202.0
[M+Na-2H]- 333.204736 179.3
[M]+ 312.22952142 185.4
[M]- 312.23061858 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.