CID 29551250

5-bromo-n-isopropylpyridin-2-amine

Structural Information

Molecular Formula

C₈H₁₁BrN₂

SMILES

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

InChI

InChI=1S/C8H11BrN2/c1-6(2)11-8-4-3-7(9)5-10-8/h3-6H,1-2H3,(H,10,11)

InChIKey

UMZUXTPLNJIIJU-UHFFFAOYSA-N

Compound name

5-bromo-N-propan-2-ylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 214.01056 Da
Monoisotopic Mass: 2.7
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]+	215.01784	138.1
[M+Na]+	236.99978	141.3
[M+NH4]+	232.04438	143.2
[M+K]+	252.97372	141.2
[M-H]-	213.00328	139.1
[M+Na-2H]-	234.98523	142.3
[M]+	214.01001	137.6
[M]-	214.01111	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe