CID 108529

2,4-tridecadienal

Structural Information

Molecular Formula
C13H22O
SMILES
CCCCCCCCC=CC=CC=O
InChI
InChI=1S/C13H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-13H,2-8H2,1H3
InChIKey
CMKUXOGSJXLFFZ-UHFFFAOYSA-N
Compound name
trideca-2,4-dienal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

161
Patents

194.16707 Da
Monoisotopic Mass

4.9
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