CID 97158

5-nitro-2-piperidinopyridine

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

C1CCN(CC1)C2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O2/c14-13(15)9-4-5-10(11-8-9)12-6-2-1-3-7-12/h4-5,8H,1-3,6-7H2

InChIKey

RQPFYHQIEVITPC-UHFFFAOYSA-N

Compound name

5-nitro-2-piperidin-1-ylpyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 100
Patents: 207.10077 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.10805	143.9
[M+Na]+	230.08999	148.6
[M-H]-	206.09349	147.2
[M+NH4]+	225.13459	158.6
[M+K]+	246.06393	142.3
[M+H-H2O]+	190.09803	139.7
[M+HCOO]-	252.09897	163.8
[M+CH3COO]-	266.11462	179.0
[M+Na-2H]-	228.07544	151.8
[M]+	207.10022	137.4
[M]-	207.10132	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe