CID 520768

35900-26-6

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CCCCC(=O)C(C)CCC

InChI

InChI=1S/C10H20O/c1-4-6-8-10(11)9(3)7-5-2/h9H,4-8H2,1-3H3

InChIKey

CGHJMKONNFWXHO-UHFFFAOYSA-N

Compound name

4-methylnonan-5-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2559
Patents: 156.15141 Da
Monoisotopic Mass: 3.3
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]+	157.15869	139.3
[M+Na]+	179.14063	144.8
[M-H]-	155.14413	139.2
[M+NH4]+	174.18523	160.5
[M+K]+	195.11457	144.4
[M+H-H2O]+	139.14867	134.5
[M+HCOO]-	201.14961	160.3
[M+CH3COO]-	215.16526	182.1
[M+Na-2H]-	177.12608	141.9
[M]+	156.15086	141.6
[M]-	156.15196	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe