CID 111143

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

Structural Information

Molecular Formula
C12H18O
SMILES
CC(=CCCC(=CC=CC=O)C)C
InChI
InChI=1S/C12H18O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h4-5,7-8,10H,6,9H2,1-3H3
InChIKey
BSKPLLBQVGLMGO-UHFFFAOYSA-N
Compound name
5,9-dimethyldeca-2,4,8-trienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

178.13577 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 143.8
[M+Na]+ 201.12499 149.6
[M-H]- 177.12849 143.6
[M+NH4]+ 196.16959 164.2
[M+K]+ 217.09893 146.9
[M+H-H2O]+ 161.13303 139.0
[M+HCOO]- 223.13397 164.8
[M+CH3COO]- 237.14962 183.3
[M+Na-2H]- 199.11044 145.5
[M]+ 178.13522 144.6
[M]- 178.13632 144.6
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

patents stripe