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]+ 339.252976 184.8
[M+Na]+ 361.234918 188.9
[M-H]- 337.238424 185.5
[M+NH4]+ 356.279523 191.5
[M+K]+ 377.208858 183.7
[M+H-H2O]+ 321.242960 177.5
[M+HCOO]- 383.243901 200.1
[M+CH3COO]- 397.259551 211.4
[M+Na-2H]- 359.220366 182.7
[M]+ 338.24515142 192.1
[M]- 338.24624858 192.1
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.