CID 168007614

Chebi:194410

Structural Information

Molecular Formula
C20H34O4
SMILES
CC/C=C\C/C=C\CC(C1C(O1)CCCCCCCCC(=O)O)O
InChI
InChI=1S/C20H34O4/c1-2-3-4-5-8-11-14-17(21)20-18(24-20)15-12-9-6-7-10-13-16-19(22)23/h3-4,8,11,17-18,20-21H,2,5-7,9-10,12-16H2,1H3,(H,22,23)/b4-3-,11-8-
InChIKey
QTWJUMSZNHVIDR-MLQKXRJWSA-N
Compound name
9-[3-[(3Z,6Z)-1-hydroxynona-3,6-dienyl]oxiran-2-yl]nonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2457 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.25298 182.0
[M+Na]+ 361.23492 189.8
[M+NH4]+ 356.27952 186.3
[M+K]+ 377.20886 186.1
[M-H]- 337.23842 187.6
[M+Na-2H]- 359.22037 183.3
[M]+ 338.24515 185.3
[M]- 338.24625 185.3
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.