CID 6437671

5,9-dimethyl-4,9-decadienal

Structural Information

Molecular Formula
C12H20O
SMILES
CC(=C)CCC/C(=C/CCC=O)/C
InChI
InChI=1S/C12H20O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h8,10H,1,4-7,9H2,2-3H3/b12-8+
InChIKey
ABDPYMYJZBDRKL-XYOKQWHBSA-N
Compound name
(4E)-5,9-dimethyldeca-4,9-dienal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

62
Patents

180.15141 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 145.3
[M+Na]+ 203.140628 150.6
[M-H]- 179.144134 144.9
[M+NH4]+ 198.185233 165.4
[M+K]+ 219.114568 148.4
[M+H-H2O]+ 163.148670 140.3
[M+HCOO]- 225.149611 166.0
[M+CH3COO]- 239.165261 185.6
[M+Na-2H]- 201.126076 146.8
[M]+ 180.15086142 146.9
[M]- 180.15195858 146.9
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