CID 12714344

1-ethoxynonane

Structural Information

Molecular Formula

C₁₁H₂₄O

SMILES

CCCCCCCCCOCC

InChI

InChI=1S/C11H24O/c1-3-5-6-7-8-9-10-11-12-4-2/h3-11H2,1-2H3

InChIKey

BCHGIXRCMJWXGE-UHFFFAOYSA-N

Compound name

1-ethoxynonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 665
Patents: 172.18271 Da
Monoisotopic Mass: 4.4
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]+	173.189986	144.8
[M+Na]+	195.171928	150.0
[M-H]-	171.175434	144.2
[M+NH4]+	190.216533	165.5
[M+K]+	211.145868	149.1
[M+H-H2O]+	155.179970	139.5
[M+HCOO]-	217.180911	167.2
[M+CH3COO]-	231.196561	184.5
[M+Na-2H]-	193.157376	149.3
[M]+	172.18216142	149.5
[M]-	172.18325858	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe