CID 11355992

23305-64-8

Structural Information

Molecular Formula

C₉H₂₀O₄

SMILES

CCCOCCOCCOCCO

InChI

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

InChIKey

KCBPVRDDYVJQHA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5421
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]+	193.14343	144.6
[M+Na]+	215.12537	150.0
[M-H]-	191.12887	142.7
[M+NH4]+	210.16997	163.5
[M+K]+	231.09931	150.0
[M+H-H2O]+	175.13341	139.1
[M+HCOO]-	237.13435	166.8
[M+CH3COO]-	251.15000	181.5
[M+Na-2H]-	213.11082	149.6
[M]+	192.13560	150.9
[M]-	192.13670	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe