CID 131753109

(all-z)-8,11,14-heptadecatrienal

Structural Information

Molecular Formula
C17H28O
SMILES
CC/C=C/C/C=C\C/C=C/CCCCCCC=O
InChI
InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-4,6-7,9-10,17H,2,5,8,11-16H2,1H3/b4-3+,7-6-,10-9+
InChIKey
NIPNNUONNZABRE-BXPSWRNBSA-N
Compound name
(8E,11Z,14E)-heptadeca-8,11,14-trienal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

248.21402 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.22130 167.2
[M+Na]+ 271.20324 176.3
[M+NH4]+ 266.24784 173.2
[M+K]+ 287.17718 166.9
[M-H]- 247.20674 165.9
[M+Na-2H]- 269.18869 168.6
[M]+ 248.21347 167.8
[M]- 248.21457 167.8
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

No patent data available for this compound.