CID 14795002

Methyl-(2-ethylhexyl) ether

Structural Information

Molecular Formula

C₉H₂₀O

SMILES

CCCCC(CC)COC

InChI

InChI=1S/C9H20O/c1-4-6-7-9(5-2)8-10-3/h9H,4-8H2,1-3H3

InChIKey

SHUGUNYYEAYLKM-UHFFFAOYSA-N

Compound name

3-(methoxymethyl)heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 495
Patents: 144.15141 Da
Monoisotopic Mass: 3.6
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]+	145.158686	136.1
[M+Na]+	167.140628	141.9
[M-H]-	143.144134	136.0
[M+NH4]+	162.185233	157.9
[M+K]+	183.114568	141.9
[M+H-H2O]+	127.148670	131.3
[M+HCOO]-	189.149611	158.2
[M+CH3COO]-	203.165261	179.2
[M+Na-2H]-	165.126076	140.4
[M]+	144.15086142	139.4
[M]-	144.15195858	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe