CID 45079467

Dtxsid60695936

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1=CN=CC=C1C(CO)N

InChI

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

InChIKey

UJQNMMGJHWLZID-UHFFFAOYSA-N

Compound name

2-amino-2-pyridin-4-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
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]+	139.086596	127.8
[M+Na]+	161.068538	134.5
[M-H]-	137.072044	128.3
[M+NH4]+	156.113143	146.8
[M+K]+	177.042478	132.6
[M+H-H2O]+	121.076580	121.5
[M+HCOO]-	183.077521	149.9
[M+CH3COO]-	197.093171	172.3
[M+Na-2H]-	159.053986	134.7
[M]+	138.07877142	124.7
[M]-	138.07986858	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe