CID 53217416

5-chloro-3-methoxypyridin-2-amine

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

COC1=C(N=CC(=C1)Cl)N

InChI

InChI=1S/C6H7ClN2O/c1-10-5-2-4(7)3-9-6(5)8/h2-3H,1H3,(H2,8,9)

InChIKey

CKFFRODMHNJVSQ-UHFFFAOYSA-N

Compound name

5-chloro-3-methoxypyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 158.02469 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]+	159.03197	127.1
[M+Na]+	181.01391	141.0
[M+NH4]+	176.05851	136.0
[M+K]+	196.98785	134.6
[M-H]-	157.01741	129.5
[M+Na-2H]-	178.99936	134.7
[M]+	158.02414	130.0
[M]-	158.02524	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe