CID 2928799

1-(5-nitropyridin-2-yl)piperazine

Structural Information

Molecular Formula
C9H12N4O2
SMILES
C1CN(CCN1)C2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H12N4O2/c14-13(15)8-1-2-9(11-7-8)12-5-3-10-4-6-12/h1-2,7,10H,3-6H2
InChIKey
YEPRCPIKTUGVHG-UHFFFAOYSA-N
Compound name
1-(5-nitropyridin-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

206
Patents

208.09602 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10330 142.5
[M+Na]+ 231.08524 155.3
[M+NH4]+ 226.12984 149.6
[M+K]+ 247.05918 152.2
[M-H]- 207.08874 145.5
[M+Na-2H]- 229.07069 149.5
[M]+ 208.09547 144.8
[M]- 208.09657 144.8
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