CID 18676268

2-(pyrimidin-4-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₆H₉N₃

SMILES

C1=CN=CN=C1CCN

InChI

InChI=1S/C6H9N3/c7-3-1-6-2-4-8-5-9-6/h2,4-5H,1,3,7H2

InChIKey

SQMGXCMBLRNMIB-UHFFFAOYSA-N

Compound name

2-pyrimidin-4-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
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]+	124.086926	123.5
[M+Na]+	146.068868	131.5
[M-H]-	122.072374	124.0
[M+NH4]+	141.113473	142.6
[M+K]+	162.042808	129.6
[M+H-H2O]+	106.076910	116.3
[M+HCOO]-	168.077851	146.9
[M+CH3COO]-	182.093501	171.7
[M+Na-2H]-	144.054316	132.9
[M]+	123.07910142	121.6
[M]-	123.08019858	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe