CID 10130214

4-methyl-2-(piperazin-1-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula
C9H14N4
SMILES
CC1=NC(=NC=C1)N2CCNCC2
InChI
InChI=1S/C9H14N4/c1-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
InChIKey
QMFLDCBHGGRGNY-UHFFFAOYSA-N
Compound name
4-methyl-2-piperazin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

178.12184 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.129116 142.3
[M+Na]+ 201.111058 148.6
[M-H]- 177.114564 141.3
[M+NH4]+ 196.155663 155.8
[M+K]+ 217.084998 144.8
[M+H-H2O]+ 161.119100 132.5
[M+HCOO]- 223.120041 157.0
[M+CH3COO]- 237.135691 152.5
[M+Na-2H]- 199.096506 148.7
[M]+ 178.12129142 135.8
[M]- 178.12238858 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe