CID 57591433

7-nonenal, 6,8-dimethyl-

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC(CCCCC=O)C=C(C)C

InChI

InChI=1S/C11H20O/c1-10(2)9-11(3)7-5-4-6-8-12/h8-9,11H,4-7H2,1-3H3

InChIKey

MSRUKASFIHGGTH-UHFFFAOYSA-N

Compound name

6,8-dimethylnon-7-enal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 35
Patents: 168.15141 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]+	169.15869	142.4
[M+Na]+	191.14063	147.9
[M-H]-	167.14413	142.2
[M+NH4]+	186.18523	163.1
[M+K]+	207.11457	146.6
[M+H-H2O]+	151.14867	137.6
[M+HCOO]-	213.14961	163.3
[M+CH3COO]-	227.16526	183.5
[M+Na-2H]-	189.12608	144.5
[M]+	168.15086	144.3
[M]-	168.15196	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe