CID 56965659

1159878-06-4

Structural Information

Molecular Formula

C₇H₉N₃

SMILES

C1CC1(C2=NC=CC=N2)N

InChI

InChI=1S/C7H9N3/c8-7(2-3-7)6-9-4-1-5-10-6/h1,4-5H,2-3,8H2

InChIKey

OBSRDFSSNGPUIY-UHFFFAOYSA-N

Compound name

1-pyrimidin-2-ylcyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 135.07965 Da
Monoisotopic Mass: -0.6
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	131.8
[M+Na]+	158.06887	142.1
[M-H]-	134.07237	136.6
[M+NH4]+	153.11347	147.4
[M+K]+	174.04281	139.6
[M+H-H2O]+	118.07691	124.7
[M+HCOO]-	180.07785	155.3
[M+CH3COO]-	194.09350	145.1
[M+Na-2H]-	156.05432	141.4
[M]+	135.07910	131.8
[M]-	135.08020	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe