CID 88655382

(4z,7z)-trideca-4,7-dienal

Structural Information

Molecular Formula
C13H22O
SMILES
CCCCC/C=C\C/C=C\CCC=O
InChI
InChI=1S/C13H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-10,13H,2-5,8,11-12H2,1H3/b7-6-,10-9-
InChIKey
OVCWJANYDKDLMS-HZJYTTRNSA-N
Compound name
(4Z,7Z)-trideca-4,7-dienal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

194.16707 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 149.3
[M+Na]+ 217.15629 154.7
[M-H]- 193.15979 148.5
[M+NH4]+ 212.20089 169.1
[M+K]+ 233.13023 151.4
[M+H-H2O]+ 177.16433 144.0
[M+HCOO]- 239.16527 171.7
[M+CH3COO]- 253.18092 186.5
[M+Na-2H]- 215.14174 152.8
[M]+ 194.16652 152.5
[M]- 194.16762 152.5
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