CID 90378821

N-methyl-1-(pyrimidin-2-yl)cyclopropan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₁N₃

SMILES

CNC1(CC1)C2=NC=CC=N2

InChI

InChI=1S/C8H11N3/c1-9-8(3-4-8)7-10-5-2-6-11-7/h2,5-6,9H,3-4H2,1H3

InChIKey

KVRVUGALINRXQJ-UHFFFAOYSA-N

Compound name

N-methyl-1-pyrimidin-2-ylcyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 149.09529 Da
Monoisotopic Mass: 0.0
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]+	150.102566	136.1
[M+Na]+	172.084508	145.9
[M-H]-	148.088014	141.2
[M+NH4]+	167.129113	151.4
[M+K]+	188.058448	143.6
[M+H-H2O]+	132.092550	128.7
[M+HCOO]-	194.093491	159.8
[M+CH3COO]-	208.109141	149.2
[M+Na-2H]-	170.069956	146.1
[M]+	149.09474142	137.3
[M]-	149.09583858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe