CID 20407055

99357-24-1

Structural Information

Molecular Formula

C₆H₉N₃

SMILES

C1=CN=C(N=C1)CCN

InChI

InChI=1S/C6H9N3/c7-3-2-6-8-4-1-5-9-6/h1,4-5H,2-3,7H2

InChIKey

DKJOQBMLNGUEFQ-UHFFFAOYSA-N

Compound name

2-pyrimidin-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 123.07965 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]+	124.08693	123.3
[M+Na]+	146.06887	135.8
[M+NH4]+	141.11347	131.7
[M+K]+	162.04281	129.5
[M-H]-	122.07237	125.1
[M+Na-2H]-	144.05432	131.2
[M]+	123.07910	125.4
[M]-	123.08020	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe