CID 91792

(2-(2-butoxyethoxy)ethoxy)methanol

Structural Information

Molecular Formula

C₉H₂₀O₄

SMILES

CCCCOCCOCCOCO

InChI

InChI=1S/C9H20O4/c1-2-3-4-11-5-6-12-7-8-13-9-10/h10H,2-9H2,1H3

InChIKey

BLUJLHCLUUKUQV-UHFFFAOYSA-N

Compound name

2-(2-butoxyethoxy)ethoxymethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 192.13615 Da
Monoisotopic Mass: 0.1
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]+	193.143426	144.6
[M+Na]+	215.125368	150.0
[M-H]-	191.128874	142.7
[M+NH4]+	210.169973	163.5
[M+K]+	231.099308	150.0
[M+H-H2O]+	175.133410	139.1
[M+HCOO]-	237.134351	166.8
[M+CH3COO]-	251.150001	181.5
[M+Na-2H]-	213.110816	149.6
[M]+	192.13560142	150.9
[M]-	192.13669858	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe