CID 11137732

Homodihydrojasmone

Structural Information

Molecular Formula

C₁₂H₂₀O

SMILES

CCCCCCC1=C(CCC1=O)C

InChI

InChI=1S/C12H20O/c1-3-4-5-6-7-11-10(2)8-9-12(11)13/h3-9H2,1-2H3

InChIKey

JAPZZAUIIPKQJW-UHFFFAOYSA-N

Compound name

2-hexyl-3-methylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 180.15141 Da
Monoisotopic Mass: 3.4
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	142.8
[M+Na]+	203.14063	150.0
[M-H]-	179.14413	146.1
[M+NH4]+	198.18523	165.2
[M+K]+	219.11457	147.7
[M+H-H2O]+	163.14867	137.6
[M+HCOO]-	225.14961	166.1
[M+CH3COO]-	239.16526	184.4
[M+Na-2H]-	201.12608	144.9
[M]+	180.15086	144.6
[M]-	180.15196	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe