CID 53350343

944905-67-3

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

COC1=NC=C(C=N1)CCN

InChI

InChI=1S/C7H11N3O/c1-11-7-9-4-6(2-3-8)5-10-7/h4-5H,2-3,8H2,1H3

InChIKey

JYVDDHHGTANDEG-UHFFFAOYSA-N

Compound name

2-(2-methoxypyrimidin-5-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 153.09021 Da
Monoisotopic Mass: -0.2
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]+	154.09749	130.9
[M+Na]+	176.07943	143.2
[M+NH4]+	171.12403	138.6
[M+K]+	192.05337	137.4
[M-H]-	152.08293	132.3
[M+Na-2H]-	174.06488	137.9
[M]+	153.08966	132.8
[M]-	153.09076	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe