CID 135764042

2094247-61-5

Structural Information

Molecular Formula

C₉H₁₄N₄O

SMILES

CC1=CC(=O)NC(=N1)N2CCNCC2

InChI

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

InChIKey

HMAVWOFXKXDEEZ-UHFFFAOYSA-N

Compound name

4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.11676 Da
Monoisotopic Mass: -1.0
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]+	195.124036	146.1
[M+Na]+	217.105978	153.2
[M-H]-	193.109484	144.2
[M+NH4]+	212.150583	158.4
[M+K]+	233.079918	148.2
[M+H-H2O]+	177.114020	136.8
[M+HCOO]-	239.114961	159.6
[M+CH3COO]-	253.130611	155.8
[M+Na-2H]-	215.091426	151.1
[M]+	194.11621142	138.9
[M]-	194.11730858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe