CID 3710594

92990-44-8

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1=CC(=CN=C1)C(CN)O

InChI

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

InChIKey

BTKNUYMZBBWHIM-UHFFFAOYSA-N

Compound name

2-amino-1-pyridin-3-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 205
Patents: 138.07932 Da
Monoisotopic Mass: -0.3
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	127.5
[M+Na]+	161.06854	138.7
[M+NH4]+	156.11314	135.5
[M+K]+	177.04248	133.6
[M-H]-	137.07204	129.0
[M+Na-2H]-	159.05399	134.2
[M]+	138.07877	129.3
[M]-	138.07987	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe