CID 62342453

En300-37355871

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂O

SMILES

C1CNCCC1OC2=C(C=CC=N2)Br

InChI

InChI=1S/C10H13BrN2O/c11-9-2-1-5-13-10(9)14-8-3-6-12-7-4-8/h1-2,5,8,12H,3-4,6-7H2

InChIKey

SZFPVHIFVPFUKO-UHFFFAOYSA-N

Compound name

3-bromo-2-piperidin-4-yloxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 256.02112 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]+	257.02840	148.8
[M+Na]+	279.01034	157.4
[M-H]-	255.01384	153.2
[M+NH4]+	274.05494	165.7
[M+K]+	294.98428	146.1
[M+H-H2O]+	239.01838	147.3
[M+HCOO]-	301.01932	164.2
[M+CH3COO]-	315.03497	161.3
[M+Na-2H]-	276.99579	155.8
[M]+	256.02057	162.2
[M]-	256.02167	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe