CID 10725891

1817-20-5

Structural Information

Molecular Formula

C₇H₈ClNO₂

SMILES

C1=C(C=C(N=C1CO)CO)Cl

InChI

InChI=1S/C7H8ClNO2/c8-5-1-6(3-10)9-7(2-5)4-11/h1-2,10-11H,3-4H2

InChIKey

KNVOMOMGVSFATE-UHFFFAOYSA-N

Compound name

[4-chloro-6-(hydroxymethyl)pyridin-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 173.02435 Da
Monoisotopic Mass: -0.2
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]+	174.03163	131.4
[M+Na]+	196.01357	145.1
[M+NH4]+	191.05817	139.5
[M+K]+	211.98751	138.9
[M-H]-	172.01707	132.1
[M+Na-2H]-	193.99902	137.8
[M]+	173.02380	133.7
[M]-	173.02490	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe