CID 5283202

5,6-eet

Structural Information

Molecular Formula
C20H32O3
SMILES
CCCCC/C=C\C/C=C\C/C=C\CC1C(O1)CCCC(=O)O
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
InChIKey
VBQNSZQZRAGRIX-QNEBEIHSSA-N
Compound name
4-[3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]oxiran-2-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

135
References

398
Patents

320.23514 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24242 178.0
[M+Na]+ 343.22436 187.2
[M+NH4]+ 338.26896 183.0
[M+K]+ 359.19830 181.8
[M-H]- 319.22786 184.5
[M+Na-2H]- 341.20981 180.5
[M]+ 320.23459 181.8
[M]- 320.23569 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe