CID 1713769

10234-40-9

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

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

InChI

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

InChIKey

JWTDCPGVNRBTKT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 3124
Patents: 198.0892 Da
Monoisotopic Mass: 0.0
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]+	199.096476	141.4
[M+Na]+	221.078418	148.2
[M-H]-	197.081924	142.2
[M+NH4]+	216.123023	159.4
[M+K]+	237.052358	146.4
[M+H-H2O]+	181.086460	135.5
[M+HCOO]-	243.087401	163.5
[M+CH3COO]-	257.103051	178.4
[M+Na-2H]-	219.063866	147.4
[M]+	198.08865142	144.1
[M]-	198.08974858	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe