CID 66885

1,3-bis(2-hydroxyethoxy)benzene

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

C1=CC(=CC(=C1)OCCO)OCCO

InChI

InChI=1S/C10H14O4/c11-4-6-13-9-2-1-3-10(8-9)14-7-5-12/h1-3,8,11-12H,4-7H2

InChIKey

IAXFZZHBFXRZMT-UHFFFAOYSA-N

Compound name

2-[3-(2-hydroxyethoxy)phenoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7811
Patents: 198.0892 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]+	199.09648	142.0
[M+Na]+	221.07842	153.1
[M+NH4]+	216.12302	149.0
[M+K]+	237.05236	147.7
[M-H]-	197.08192	142.3
[M+Na-2H]-	219.06387	147.2
[M]+	198.08865	143.4
[M]-	198.08975	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe