CID 15486065

4e,9z-tetradecadienal

Structural Information

Molecular Formula
C14H24O
SMILES
CCCC/C=C\CCC/C=C/CCC=O
InChI
InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6,10-11,14H,2-4,7-9,12-13H2,1H3/b6-5-,11-10+
InChIKey
SKBKGBGBUQMBNN-GWZUCBFCSA-N
Compound name
(4E,9Z)-tetradeca-4,9-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

208.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 153.8
[M+Na]+ 231.17193 158.8
[M-H]- 207.17543 152.9
[M+NH4]+ 226.21653 173.1
[M+K]+ 247.14587 155.3
[M+H-H2O]+ 191.17997 148.3
[M+HCOO]- 253.18091 175.9
[M+CH3COO]- 267.19656 189.5
[M+Na-2H]- 229.15738 156.8
[M]+ 208.18216 157.4
[M]- 208.18326 157.4
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