CID 14522041

9z,11e,13-tetradecatrienal

Structural Information

Molecular Formula
C14H22O
SMILES
C=C/C=C/C=C\CCCCCCCC=O
InChI
InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-6,14H,1,7-13H2/b4-3+,6-5-
InChIKey
JABQZEDFZXKPOY-ICWBMWKASA-N
Compound name
(9Z,11E)-tetradeca-9,11,13-trienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

206.16707 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 152.1
[M+Na]+ 229.15629 157.4
[M-H]- 205.15979 151.1
[M+NH4]+ 224.20089 171.3
[M+K]+ 245.13023 153.2
[M+H-H2O]+ 189.16433 146.6
[M+HCOO]- 251.16527 174.4
[M+CH3COO]- 265.18092 188.6
[M+Na-2H]- 227.14174 155.1
[M]+ 206.16652 155.0
[M]- 206.16762 155.0
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