CID 111649

68844-98-4

Structural Information

Molecular Formula

C₁₂H₂₀O

SMILES

CC(=C)CCCC(=CCCC=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

InChIKey

ABDPYMYJZBDRKL-UHFFFAOYSA-N

Compound name

5,9-dimethyldeca-4,9-dienal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 77
Patents: 180.15141 Da
Monoisotopic Mass: 3.8
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