CID 4172707

24255-98-9

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂

SMILES

C1CCN(CC1)C2=NC=CC(=C2)Br

InChI

InChI=1S/C10H13BrN2/c11-9-4-5-12-10(8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2

InChIKey

SRJWDPFVNPQGDM-UHFFFAOYSA-N

Compound name

4-bromo-2-piperidin-1-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 240.02621 Da
Monoisotopic Mass: 2.8
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]+	241.033486	145.3
[M+Na]+	263.015428	154.6
[M-H]-	239.018934	151.1
[M+NH4]+	258.060033	163.6
[M+K]+	278.989368	143.7
[M+H-H2O]+	223.023470	143.8
[M+HCOO]-	285.024411	162.0
[M+CH3COO]-	299.040061	158.7
[M+Na-2H]-	261.000876	152.8
[M]+	240.02566142	159.2
[M]-	240.02675858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe