CID 26370112

934000-33-6

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-bromopyridin-2-yl)-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]+	269.02840	151.1
[M+Na]+	291.01034	154.3
[M+NH4]+	286.05494	155.6
[M+K]+	306.98428	154.0
[M-H]-	267.01384	152.3
[M+Na-2H]-	288.99579	155.3
[M]+	268.02057	150.6
[M]-	268.02167	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe