CID 46738792

5-bromo-3-nitro-2-(piperidin-1-yl)pyridine

Structural Information

Molecular Formula

C₁₀H₁₂BrN₃O₂

SMILES

C1CCN(CC1)C2=C(C=C(C=N2)Br)[N+](=O)[O-]

InChI

InChI=1S/C10H12BrN3O2/c11-8-6-9(14(15)16)10(12-7-8)13-4-2-1-3-5-13/h6-7H,1-5H2

InChIKey

JQYCANJBLLJNHL-UHFFFAOYSA-N

Compound name

5-bromo-3-nitro-2-piperidin-1-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 285.0113 Da
Monoisotopic Mass: 2.7
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]+	286.018576	154.8
[M+Na]+	308.000518	163.3
[M-H]-	284.004024	160.9
[M+NH4]+	303.045123	170.6
[M+K]+	323.974458	148.7
[M+H-H2O]+	268.008560	156.8
[M+HCOO]-	330.009501	172.5
[M+CH3COO]-	344.025151	190.2
[M+Na-2H]-	305.985966	162.7
[M]+	285.01075142	168.5
[M]-	285.01184858	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe