CID 21073390

(4-amino-6-chloropyridin-3-yl)methanol

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

C1=C(C(=CN=C1Cl)CO)N

InChI

InChI=1S/C6H7ClN2O/c7-6-1-5(8)4(3-10)2-9-6/h1-2,10H,3H2,(H2,8,9)

InChIKey

AVYMOPIIGPZZEH-UHFFFAOYSA-N

Compound name

(4-amino-6-chloropyridin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 158.02469 Da
Monoisotopic Mass: 0.8
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]+	159.03197	127.6
[M+Na]+	181.01391	140.9
[M+NH4]+	176.05851	136.1
[M+K]+	196.98785	134.8
[M-H]-	157.01741	129.4
[M+Na-2H]-	178.99936	134.5
[M]+	158.02414	130.1
[M]-	158.02524	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe