CID 542224

29681-21-8

Structural Information

Molecular Formula

C₉H₂₀O₄

SMILES

CC(C)OCCOCCOCCO

InChI

InChI=1S/C9H20O4/c1-9(2)13-8-7-12-6-5-11-4-3-10/h9-10H,3-8H2,1-2H3

InChIKey

FETMDPWILVCFLL-UHFFFAOYSA-N

Compound name

2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1454
Patents: 192.13615 Da
Monoisotopic Mass: -0.2
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	145.4
[M+Na]+	215.12537	150.6
[M-H]-	191.12887	143.6
[M+NH4]+	210.16997	164.3
[M+K]+	231.09931	151.0
[M+H-H2O]+	175.13341	140.0
[M+HCOO]-	237.13435	166.6
[M+CH3COO]-	251.15000	182.3
[M+Na-2H]-	213.11082	149.1
[M]+	192.13560	151.1
[M]-	192.13670	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe