CID 11171804

1-(6-nitropyridin-3-yl)piperazine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

208.09602 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.103296 143.4
[M+Na]+ 231.085238 148.1
[M-H]- 207.088744 144.2
[M+NH4]+ 226.129843 156.0
[M+K]+ 247.059178 140.8
[M+H-H2O]+ 191.093280 138.8
[M+HCOO]- 253.094221 160.8
[M+CH3COO]- 267.109871 176.2
[M+Na-2H]- 229.070686 151.7
[M]+ 208.09547142 135.2
[M]- 208.09656858 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