CID 68978084

6-(2-aminoethyl)pyridin-3-ol dihydrochloride

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1=CC(=NC=C1O)CCN

InChI

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

InChIKey

DSHAJGOGTKYNAG-UHFFFAOYSA-N

Compound name

6-(2-aminoethyl)pyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 138.07932 Da
Monoisotopic Mass: -0.1
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	127.2
[M+Na]+	161.068538	135.2
[M-H]-	137.072044	128.0
[M+NH4]+	156.113143	146.6
[M+K]+	177.042478	132.8
[M+H-H2O]+	121.076580	121.1
[M+HCOO]-	183.077521	150.3
[M+CH3COO]-	197.093171	172.5
[M+Na-2H]-	159.053986	134.6
[M]+	138.07877142	125.1
[M]-	138.07986858	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe