CID 22279532

1187930-63-7

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1=CC=NC(=C1)C(CO)N

InChI

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

InChIKey

QHWDUHWJQCQQSH-UHFFFAOYSA-N

Compound name

2-amino-2-pyridin-2-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 167
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

literature stripe

Patent stripe

patents stripe