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
2
Annotation Hits

0
References

16
Patents

248.21402 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.221296 165.8
[M+Na]+ 271.203238 170.0
[M-H]- 247.206744 164.4
[M+NH4]+ 266.247843 183.4
[M+K]+ 287.177178 165.0
[M+H-H2O]+ 231.211280 159.8
[M+HCOO]- 293.212221 187.2
[M+CH3COO]- 307.227871 197.0
[M+Na-2H]- 269.188686 167.3
[M]+ 248.21347142 169.8
[M]- 248.21456858 169.8
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.