CID 116736

4,8-dimethyl-4,9-decadienal

Structural Information

Molecular Formula
C12H20O
SMILES
CC(CCC=C(C)CCC=O)C=C
InChI
InChI=1S/C12H20O/c1-4-11(2)7-5-8-12(3)9-6-10-13/h4,8,10-11H,1,5-7,9H2,2-3H3
InChIKey
QVEOSYKPYFNQAZ-UHFFFAOYSA-N
Compound name
4,8-dimethyldeca-4,9-dienal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

231
Patents

180.15141 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.15869 145.3
[M+Na]+ 203.14063 150.6
[M-H]- 179.14413 144.9
[M+NH4]+ 198.18523 165.4
[M+K]+ 219.11457 148.4
[M+H-H2O]+ 163.14867 140.3
[M+HCOO]- 225.14961 166.0
[M+CH3COO]- 239.16526 185.6
[M+Na-2H]- 201.12608 146.8
[M]+ 180.15086 146.9
[M]- 180.15196 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