CID 15260

2-(2-ethylhexyloxy)ethanol

Structural Information

Molecular Formula

C₁₀H₂₂O₂

SMILES

CCCCC(CC)COCCO

InChI

InChI=1S/C10H22O2/c1-3-5-6-10(4-2)9-12-8-7-11/h10-11H,3-9H2,1-2H3

InChIKey

OHJYHAOODFPJOD-UHFFFAOYSA-N

Compound name

2-(2-ethylhexoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 7425
Patents: 174.16199 Da
Monoisotopic Mass: 2.5
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]+	175.169266	144.7
[M+Na]+	197.151208	149.6
[M-H]-	173.154714	142.8
[M+NH4]+	192.195813	164.4
[M+K]+	213.125148	148.8
[M+H-H2O]+	157.159250	139.6
[M+HCOO]-	219.160191	165.1
[M+CH3COO]-	233.175841	181.4
[M+Na-2H]-	195.136656	147.8
[M]+	174.16144142	147.8
[M]-	174.16253858	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe