CID 10130362

71500-42-0

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

C1=CC(=CC(=C1)N(CCO)CCO)N

InChI

InChI=1S/C10H16N2O2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7,11H2

InChIKey

MQMMMSDSVNOFJM-UHFFFAOYSA-N

Compound name

2-[3-amino-N-(2-hydroxyethyl)anilino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4073
Patents: 196.12119 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]+	197.128466	143.5
[M+Na]+	219.110408	148.9
[M-H]-	195.113914	145.2
[M+NH4]+	214.155013	161.3
[M+K]+	235.084348	146.9
[M+H-H2O]+	179.118450	137.0
[M+HCOO]-	241.119391	167.1
[M+CH3COO]-	255.135041	187.1
[M+Na-2H]-	217.095856	148.2
[M]+	196.12064142	141.9
[M]-	196.12173858	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe