CID 3060373

78069-95-1

Structural Information

Molecular Formula
C9H14N4
SMILES
C1CN(CCN1)C2=C(C=NC=C2)N
InChI
InChI=1S/C9H14N4/c10-8-7-12-2-1-9(8)13-5-3-11-4-6-13/h1-2,7,11H,3-6,10H2
InChIKey
ZTSWAKFFINVIES-UHFFFAOYSA-N
Compound name
4-piperazin-1-ylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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 140.7
[M+Na]+ 201.111058 146.2
[M-H]- 177.114564 140.7
[M+NH4]+ 196.155663 155.0
[M+K]+ 217.084998 142.1
[M+H-H2O]+ 161.119100 131.6
[M+HCOO]- 223.120041 157.3
[M+CH3COO]- 237.135691 151.0
[M+Na-2H]- 199.096506 146.7
[M]+ 178.12129142 132.1
[M]- 178.12238858 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe