CID 3778834

1-(3-nitropyridin-2-yl)piperazine

Structural Information

Molecular Formula
C9H12N4O2
SMILES
C1CN(CCN1)C2=C(C=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C9H12N4O2/c14-13(15)8-2-1-3-11-9(8)12-6-4-10-5-7-12/h1-3,10H,4-7H2
InChIKey
HSAKGWZDXDRYTB-UHFFFAOYSA-N
Compound name
1-(3-nitropyridin-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

141
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 143.4
[M+Na]+ 231.08524 148.1
[M-H]- 207.08874 144.2
[M+NH4]+ 226.12984 156.0
[M+K]+ 247.05918 140.8
[M+H-H2O]+ 191.09328 138.8
[M+HCOO]- 253.09422 160.8
[M+CH3COO]- 267.10987 176.2
[M+Na-2H]- 229.07069 151.7
[M]+ 208.09547 135.2
[M]- 208.09657 135.2
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