CID 3020531

2-ethyl-5,9-dimethyl-2,4,8-decatrienal

Structural Information

Molecular Formula
C14H22O
SMILES
CCC(=CC=C(C)CCC=C(C)C)C=O
InChI
InChI=1S/C14H22O/c1-5-14(11-15)10-9-13(4)8-6-7-12(2)3/h7,9-11H,5-6,8H2,1-4H3
InChIKey
CBCNSUNKJFIOKF-UHFFFAOYSA-N
Compound name
2-ethyl-5,9-dimethyldeca-2,4,8-trienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 154.6
[M+Na]+ 229.15629 163.4
[M+NH4]+ 224.20089 160.7
[M+K]+ 245.13023 157.1
[M-H]- 205.15979 152.9
[M+Na-2H]- 227.14174 155.7
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.