CID 45080112

2-cyclopropylpyrimidin-4-amine

Structural Information

Molecular Formula

C₇H₉N₃

SMILES

C1CC1C2=NC=CC(=N2)N

InChI

InChI=1S/C7H9N3/c8-6-3-4-9-7(10-6)5-1-2-5/h3-5H,1-2H2,(H2,8,9,10)

InChIKey

IIUUNXSYGPXQGX-UHFFFAOYSA-N

Compound name

2-cyclopropylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 135.07965 Da
Monoisotopic Mass: 0.4
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]+	136.08693	128.6
[M+Na]+	158.06887	142.8
[M+NH4]+	153.11347	137.8
[M+K]+	174.04281	138.1
[M-H]-	134.07237	138.6
[M+Na-2H]-	156.05432	139.4
[M]+	135.07910	134.5
[M]-	135.08020	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe