CID 8923

Triethylene glycol monobutyl ether

Structural Information

Molecular Formula

C₁₀H₂₂O₄

SMILES

CCCCOCCOCCOCCO

InChI

InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3

InChIKey

COBPKKZHLDDMTB-UHFFFAOYSA-N

Compound name

2-[2-(2-butoxyethoxy)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 45288
Patents: 206.15181 Da
Monoisotopic Mass: 0.4
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]+	207.159086	149.1
[M+Na]+	229.141028	154.1
[M-H]-	205.144534	147.1
[M+NH4]+	224.185633	167.5
[M+K]+	245.114968	153.8
[M+H-H2O]+	189.149070	143.4
[M+HCOO]-	251.150011	171.1
[M+CH3COO]-	265.165661	184.5
[M+Na-2H]-	227.126476	153.6
[M]+	206.15126142	155.9
[M]-	206.15235858	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe