CID 47933

66422-95-5

Structural Information

Molecular Formula

C₈H₁₂N₂O₂

SMILES

C1=CC(=C(C=C1N)N)OCCO

InChI

InChI=1S/C8H12N2O2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4,9-10H2

InChIKey

WCPGNFONICRLCL-UHFFFAOYSA-N

Compound name

2-(2,4-diaminophenoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 14
References: 9132
Patents: 168.08987 Da
Monoisotopic Mass: -0.1
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]+	169.09715	134.1
[M+Na]+	191.07909	144.4
[M+NH4]+	186.12369	141.6
[M+K]+	207.05303	139.6
[M-H]-	167.08259	136.2
[M+Na-2H]-	189.06454	139.6
[M]+	168.08932	135.8
[M]-	168.09042	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe