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

2
Annotation Hits: 0
References: 57
Patents: 180.15141 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.15869	146.2
[M+Na]+	203.14063	155.6
[M+NH4]+	198.18523	153.1
[M+K]+	219.11457	149.1
[M-H]-	179.14413	145.0
[M+Na-2H]-	201.12608	148.3
[M]+	180.15086	146.9
[M]-	180.15196	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe