CID 118674

34392-85-3

Structural Information

Molecular Formula

C₆H₇ClN₂O

SMILES

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

InChI

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

InChIKey

AOGGRVIJAHZLFK-UHFFFAOYSA-N

Compound name

2-chloro-6-methoxypyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 122
Patents: 158.02469 Da
Monoisotopic Mass: 1.4
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]+	159.031966	127.9
[M+Na]+	181.013908	138.3
[M-H]-	157.017414	130.3
[M+NH4]+	176.058513	148.3
[M+K]+	196.987848	135.2
[M+H-H2O]+	141.021950	122.6
[M+HCOO]-	203.022891	148.2
[M+CH3COO]-	217.038541	177.1
[M+Na-2H]-	178.999356	135.1
[M]+	158.02414142	129.5
[M]-	158.02523858	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe