CID 89246623

1206248-42-1

Structural Information

Molecular Formula

C₇H₉ClN₂O

SMILES

C1=CN=C(C=C1NCCO)Cl

InChI

InChI=1S/C7H9ClN2O/c8-7-5-6(1-2-10-7)9-3-4-11/h1-2,5,11H,3-4H2,(H,9,10)

InChIKey

HTKWOLZVBMRSAK-UHFFFAOYSA-N

Compound name

2-[(2-chloro-4-pyridinyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 172.04034 Da
Monoisotopic Mass: 1.1
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]+	173.047616	132.5
[M+Na]+	195.029558	141.1
[M-H]-	171.033064	133.4
[M+NH4]+	190.074163	151.6
[M+K]+	211.003498	137.1
[M+H-H2O]+	155.037600	126.9
[M+HCOO]-	217.038541	151.6
[M+CH3COO]-	231.054191	177.1
[M+Na-2H]-	193.015006	140.5
[M]+	172.03979142	133.2
[M]-	172.04088858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe