CID 81758951

3-bromo-n-(pentan-3-yl)pyridin-4-amine

Structural Information

Molecular Formula

C₁₀H₁₅BrN₂

SMILES

CCC(CC)NC1=C(C=NC=C1)Br

InChI

InChI=1S/C10H15BrN2/c1-3-8(4-2)13-10-5-6-12-7-9(10)11/h5-8H,3-4H2,1-2H3,(H,12,13)

InChIKey

YXCRACAPFDHRLG-UHFFFAOYSA-N

Compound name

3-bromo-N-pentan-3-ylpyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.04185 Da
Monoisotopic Mass: 3.4
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]+	243.049126	146.9
[M+Na]+	265.031068	156.8
[M-H]-	241.034574	151.6
[M+NH4]+	260.075673	166.6
[M+K]+	281.005008	145.6
[M+H-H2O]+	225.039110	145.6
[M+HCOO]-	287.040051	167.3
[M+CH3COO]-	301.055701	193.6
[M+Na-2H]-	263.016516	153.9
[M]+	242.04130142	165.2
[M]-	242.04239858	165.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.