CID 45789017

4-methoxy-6-(piperazin-1-yl)pyrimidine

Structural Information

Molecular Formula

C₉H₁₄N₄O

SMILES

COC1=NC=NC(=C1)N2CCNCC2

InChI

InChI=1S/C9H14N4O/c1-14-9-6-8(11-7-12-9)13-4-2-10-3-5-13/h6-7,10H,2-5H2,1H3

InChIKey

FOINJVBLEDQGKC-UHFFFAOYSA-N

Compound name

4-methoxy-6-piperazin-1-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 194.11676 Da
Monoisotopic Mass: 0.3
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]+	195.124036	145.2
[M+Na]+	217.105978	151.4
[M-H]-	193.109484	144.2
[M+NH4]+	212.150583	157.9
[M+K]+	233.079918	148.0
[M+H-H2O]+	177.114020	135.1
[M+HCOO]-	239.114961	160.1
[M+CH3COO]-	253.130611	155.2
[M+Na-2H]-	215.091426	151.5
[M]+	194.11621142	140.1
[M]-	194.11730858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe