CID 26370112

5-bromo-2-(piperidin-1-ylcarbonyl)pyridine

Structural Information

Molecular Formula

C₁₁H₁₃BrN₂O

SMILES

C1CCN(CC1)C(=O)C2=NC=C(C=C2)Br

InChI

InChI=1S/C11H13BrN2O/c12-9-4-5-10(13-8-9)11(15)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2

InChIKey

LXRFKLKDVHGHIC-UHFFFAOYSA-N

Compound name

(5-bromo-2-pyridinyl)-piperidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 268.02112 Da
Monoisotopic Mass: 2.2
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]+	269.028396	151.7
[M+Na]+	291.010338	160.5
[M-H]-	267.013844	157.4
[M+NH4]+	286.054943	168.8
[M+K]+	306.984278	149.7
[M+H-H2O]+	251.018380	150.0
[M+HCOO]-	313.019321	167.5
[M+CH3COO]-	327.034971	191.8
[M+Na-2H]-	288.995786	157.6
[M]+	268.02057142	165.9
[M]-	268.02166858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe