CID 131143026

2-(6-bromopyridin-3-yl)propan-2-amine

Structural Information

Molecular Formula

C₈H₁₁BrN₂

SMILES

CC(C)(C1=CN=C(C=C1)Br)N

InChI

InChI=1S/C8H11BrN2/c1-8(2,10)6-3-4-7(9)11-5-6/h3-5H,10H2,1-2H3

InChIKey

BAHCOTFDBYLPFZ-UHFFFAOYSA-N

Compound name

2-(6-bromo-3-pyridinyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 214.01056 Da
Monoisotopic Mass: 1.3
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]+	215.017836	139.2
[M+Na]+	236.999778	150.7
[M-H]-	213.003284	144.0
[M+NH4]+	232.044383	160.0
[M+K]+	252.973718	139.4
[M+H-H2O]+	197.007820	138.9
[M+HCOO]-	259.008761	159.1
[M+CH3COO]-	273.024411	186.8
[M+Na-2H]-	234.985226	147.9
[M]+	214.01001142	156.0
[M]-	214.01110858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe