CID 3708172

2-amino-1-(pyridin-4-yl)ethan-1-ol dihydrochloride

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1=CN=CC=C1C(CN)O

InChI

InChI=1S/C7H10N2O/c8-5-7(10)6-1-3-9-4-2-6/h1-4,7,10H,5,8H2

InChIKey

XYIUAYKSHAYZDY-UHFFFAOYSA-N

Compound name

2-amino-1-pyridin-4-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 138.07932 Da
Monoisotopic Mass: -0.9
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]+	139.08660	127.8
[M+Na]+	161.06854	134.5
[M-H]-	137.07204	128.3
[M+NH4]+	156.11314	146.8
[M+K]+	177.04248	132.6
[M+H-H2O]+	121.07658	121.5
[M+HCOO]-	183.07752	149.9
[M+CH3COO]-	197.09317	172.3
[M+Na-2H]-	159.05399	134.7
[M]+	138.07877	124.7
[M]-	138.07987	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe