CID 6437375

Fecapentaene-14

Structural Information

Molecular Formula
C17H26O3
SMILES
CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@H](CO)O
InChI
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16-17(19)15-18/h5-14,17-19H,2-4,15-16H2,1H3/b6-5+,8-7+,10-9+,12-11+,14-13+/t17-/m0/s1
InChIKey
UCSSTHOWGCFAPL-XQICVRGGSA-N
Compound name
(2S)-3-[(1E,3E,5E,7E,9E)-tetradeca-1,3,5,7,9-pentaenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

0
Patents

278.1882 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19548 172.6
[M+Na]+ 301.17742 176.0
[M-H]- 277.18092 168.4
[M+NH4]+ 296.22202 187.4
[M+K]+ 317.15136 170.0
[M+H-H2O]+ 261.18546 166.8
[M+HCOO]- 323.18640 190.6
[M+CH3COO]- 337.20205 194.2
[M+Na-2H]- 299.16287 171.7
[M]+ 278.18765 174.1
[M]- 278.18875 174.1
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

No patent data available for this compound.