CID 13672471

88046-02-0

Structural Information

Molecular Formula

C₁₁H₁₅BrN₂

SMILES

C1CCN(CC1)CC2=CC(=NC=C2)Br

InChI

InChI=1S/C11H15BrN2/c12-11-8-10(4-5-13-11)9-14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2

InChIKey

ZTUBSWOWTOUXJJ-UHFFFAOYSA-N

Compound name

2-bromo-4-(piperidin-1-ylmethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 254.04185 Da
Monoisotopic Mass: 2.6
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]+	255.049126	149.8
[M+Na]+	277.031068	158.6
[M-H]-	253.034574	155.4
[M+NH4]+	272.075673	167.6
[M+K]+	293.005008	147.5
[M+H-H2O]+	237.039110	148.1
[M+HCOO]-	299.040051	166.1
[M+CH3COO]-	313.055701	162.8
[M+Na-2H]-	275.016516	156.8
[M]+	254.04130142	164.0
[M]-	254.04239858	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe