CID 88802

Glycereth-3

Structural Information

Molecular Formula

C₉H₂₀O₆

SMILES

C(COCC(COCCO)OCCO)O

InChI

InChI=1S/C9H20O6/c10-1-4-13-7-9(15-6-3-12)8-14-5-2-11/h9-12H,1-8H2

InChIKey

UCYLROVJSUACAD-UHFFFAOYSA-N

Compound name

2-[2,3-bis(2-hydroxyethoxy)propoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 182
Patents: 224.12599 Da
Monoisotopic Mass: -2.2
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]+	225.13327	150.6
[M+Na]+	247.11521	154.6
[M-H]-	223.11871	145.8
[M+NH4]+	242.15981	166.5
[M+K]+	263.08915	154.4
[M+H-H2O]+	207.12325	144.9
[M+HCOO]-	269.12419	169.2
[M+CH3COO]-	283.13984	181.4
[M+Na-2H]-	245.10066	153.4
[M]+	224.12544	155.3
[M]-	224.12654	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe