CID 8177

2-(2-butoxyethoxy)ethanol

Structural Information

Molecular Formula

C₈H₁₈O₃

SMILES

CCCCOCCOCCO

InChI

InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3

InChIKey

OAYXUHPQHDHDDZ-UHFFFAOYSA-N

Compound name

2-(2-butoxyethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 32
References: 32484
Patents: 162.1256 Da
Monoisotopic Mass: 0.6
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]+	163.132876	137.5
[M+Na]+	185.114818	143.4
[M-H]-	161.118324	135.9
[M+NH4]+	180.159423	157.7
[M+K]+	201.088758	143.2
[M+H-H2O]+	145.122860	132.5
[M+HCOO]-	207.123801	159.9
[M+CH3COO]-	221.139451	176.5
[M+Na-2H]-	183.100266	143.0
[M]+	162.12505142	142.0
[M]-	162.12614858	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe