CID 118946

2-amino-4,6-dimethoxypyrimidine

Structural Information

Molecular Formula

C₆H₉N₃O₂

SMILES

COC1=CC(=NC(=N1)N)OC

InChI

InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)

InChIKey

LVFRCHIUUKWBLR-UHFFFAOYSA-N

Compound name

4,6-dimethoxypyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 27
References: 1926
Patents: 155.06947 Da
Monoisotopic Mass: 0.5
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]+	156.076746	129.8
[M+Na]+	178.058688	139.5
[M-H]-	154.062194	131.0
[M+NH4]+	173.103293	148.1
[M+K]+	194.032628	138.6
[M+H-H2O]+	138.066730	122.6
[M+HCOO]-	200.067671	153.6
[M+CH3COO]-	214.083321	178.2
[M+Na-2H]-	176.044136	137.5
[M]+	155.06892142	131.5
[M]-	155.07001858	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe