CID 16092266

373356-50-4

Structural Information

Molecular Formula

C₈H₁₁ClN₄

SMILES

C1CN(CCN1)C2=CC(=NC=N2)Cl

InChI

InChI=1S/C8H11ClN4/c9-7-5-8(12-6-11-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2

InChIKey

YUDWNXPKSXBXBB-UHFFFAOYSA-N

Compound name

4-chloro-6-piperazin-1-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 198.06723 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]+	199.074506	142.5
[M+Na]+	221.056448	149.7
[M-H]-	197.059954	141.2
[M+NH4]+	216.101053	155.8
[M+K]+	237.030388	144.6
[M+H-H2O]+	181.064490	132.9
[M+HCOO]-	243.065431	152.7
[M+CH3COO]-	257.081081	152.6
[M+Na-2H]-	219.041896	148.9
[M]+	198.06668142	137.3
[M]-	198.06777858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe