CID 94459

1-(2-pyridyl)piperazine

Structural Information

Molecular Formula
C9H13N3
SMILES
C1CN(CCN1)C2=CC=CC=N2
InChI
InChI=1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2
InChIKey
GZRKXKUVVPSREJ-UHFFFAOYSA-N
Compound name
1-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

7502
Patents

163.11095 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.118226 136.5
[M+Na]+ 186.100168 141.8
[M-H]- 162.103674 136.6
[M+NH4]+ 181.144773 151.7
[M+K]+ 202.074108 138.3
[M+H-H2O]+ 146.108210 127.4
[M+HCOO]- 208.109151 152.6
[M+CH3COO]- 222.124801 147.2
[M+Na-2H]- 184.085616 143.8
[M]+ 163.11040142 129.1
[M]- 163.11149858 129.1
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