CID 24011602

5s,8r-dihome

Structural Information

Molecular Formula
C18H34O4
SMILES
CCCCCCCC/C=C\[C@@H](CC[C@H](CCCC(=O)O)O)O
InChI
InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h9,11,16-17,19-20H,2-8,10,12-15H2,1H3,(H,21,22)/b11-9-/t16-,17-/m0/s1
InChIKey
ZAMBNEWCIHMTNZ-FAGFETBGSA-N
Compound name
(Z,5S,8R)-5,8-dihydroxyoctadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2457 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.252976 185.2
[M+Na]+ 337.234918 186.0
[M-H]- 313.238424 179.2
[M+NH4]+ 332.279523 197.5
[M+K]+ 353.208858 182.2
[M+H-H2O]+ 297.242960 178.9
[M+HCOO]- 359.243901 198.9
[M+CH3COO]- 373.259551 203.5
[M+Na-2H]- 335.220366 180.6
[M]+ 314.24515142 187.6
[M]- 314.24624858 187.6
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.