CID 101854

762-26-5

Structural Information

Molecular Formula

C₁₂H₂₀O

SMILES

CC(=CCCC(=CCCC=O)C)C

InChI

InChI=1S/C12H20O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h7-8,10H,4-6,9H2,1-3H3

InChIKey

MMLYERLRGHVBEK-UHFFFAOYSA-N

Compound name

5,9-dimethyldeca-4,8-dienal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 973
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	145.5
[M+Na]+	203.14063	150.9
[M-H]-	179.14413	145.1
[M+NH4]+	198.18523	165.7
[M+K]+	219.11457	148.7
[M+H-H2O]+	163.14867	140.5
[M+HCOO]-	225.14961	166.3
[M+CH3COO]-	239.16526	185.0
[M+Na-2H]-	201.12608	147.0
[M]+	180.15086	147.0
[M]-	180.15196	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe