CID 139596467

Dtxsid401028693

Structural Information

Molecular Formula

C₁₄H₁₅NO₃

SMILES

C1=CC(=CC=C1O)OC2=CC=C(C=C2)OCCN

InChI

InChI=1S/C14H15NO3/c15-9-10-17-12-5-7-14(8-6-12)18-13-3-1-11(16)2-4-13/h1-8,16H,9-10,15H2

InChIKey

OSJUOSSPXFWTKQ-UHFFFAOYSA-N

Compound name

4-[4-(2-aminoethoxy)phenoxy]phenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 245.1052 Da
Monoisotopic Mass: 2.1
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]+	246.11248	153.8
[M+Na]+	268.09442	160.7
[M-H]-	244.09792	158.8
[M+NH4]+	263.13902	169.8
[M+K]+	284.06836	157.3
[M+H-H2O]+	228.10246	146.1
[M+HCOO]-	290.10340	177.7
[M+CH3COO]-	304.11905	192.3
[M+Na-2H]-	266.07987	159.3
[M]+	245.10465	154.3
[M]-	245.10575	154.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.