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
4
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 165.8
[M+Na]+ 271.20324 170.0
[M-H]- 247.20674 164.4
[M+NH4]+ 266.24784 183.4
[M+K]+ 287.17718 165.0
[M+H-H2O]+ 231.21128 159.8
[M+HCOO]- 293.21222 187.2
[M+CH3COO]- 307.22787 197.0
[M+Na-2H]- 269.18869 167.3
[M]+ 248.21347 169.8
[M]- 248.21457 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

literature stripe

Patent stripe

No patent data available for this compound.