CID 2803165

Oprea1_532356

Structural Information

Molecular Formula
C10H11N3O2
SMILES
C1CN(CC=C1)C2=NC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H11N3O2/c14-13(15)9-4-5-10(11-8-9)12-6-2-1-3-7-12/h1-2,4-5,8H,3,6-7H2
InChIKey
HPZNZWNXRPQLTI-UHFFFAOYSA-N
Compound name
2-(3,6-dihydro-2H-pyridin-1-yl)-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

205.08513 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.092406 142.3
[M+Na]+ 228.074348 148.0
[M-H]- 204.077854 146.0
[M+NH4]+ 223.118953 157.2
[M+K]+ 244.048288 141.4
[M+H-H2O]+ 188.082390 138.0
[M+HCOO]- 250.083331 163.6
[M+CH3COO]- 264.098981 178.7
[M+Na-2H]- 226.059796 151.2
[M]+ 205.08458142 137.2
[M]- 205.08567858 137.2
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

No patent data available for this compound.