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

253
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

literature stripe

Patent stripe

patents stripe