CID 66913

104-39-2

Structural Information

Molecular Formula

C₁₁H₁₆O₃

SMILES

CC1=CC=C(C=C1)OCCOCCO

InChI

InChI=1S/C11H16O3/c1-10-2-4-11(5-3-10)14-9-8-13-7-6-12/h2-5,12H,6-9H2,1H3

InChIKey

DXYXGWDDTLAPGM-UHFFFAOYSA-N

Compound name

2-[2-(4-methylphenoxy)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 196.10994 Da
Monoisotopic Mass: 1.4
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]+	197.11722	142.8
[M+Na]+	219.09916	154.9
[M+NH4]+	214.14376	150.7
[M+K]+	235.07310	148.4
[M-H]-	195.10266	144.2
[M+Na-2H]-	217.08461	149.0
[M]+	196.10939	144.9
[M]-	196.11049	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe