CID 54775728

2-(methylamino)-2-(pyridin-3-yl)ethan-1-ol dihydrochloride

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CNC(CO)C1=CN=CC=C1

InChI

InChI=1S/C8H12N2O/c1-9-8(6-11)7-3-2-4-10-5-7/h2-5,8-9,11H,6H2,1H3

InChIKey

PLCAPZHXWKSMIF-UHFFFAOYSA-N

Compound name

2-(methylamino)-2-pyridin-3-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 152.09496 Da
Monoisotopic Mass: -0.4
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]+	153.10224	132.0
[M+Na]+	175.08418	143.3
[M+NH4]+	170.12878	140.0
[M+K]+	191.05812	137.7
[M-H]-	151.08768	133.6
[M+Na-2H]-	173.06963	138.8
[M]+	152.09441	133.8
[M]-	152.09551	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe