CID 10728144

2-n-(3-aminopropyl)-amino-5-bromopyridine

Structural Information

Molecular Formula

C₈H₁₂BrN₃

SMILES

C1=CC(=NC=C1Br)NCCCN

InChI

InChI=1S/C8H12BrN3/c9-7-2-3-8(12-6-7)11-5-1-4-10/h2-3,6H,1,4-5,10H2,(H,11,12)

InChIKey

CJPNRBHTHRCYQX-UHFFFAOYSA-N

Compound name

N'-(5-bromopyridin-2-yl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 229.02145 Da
Monoisotopic Mass: 1.8
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]+	230.02873	140.7
[M+Na]+	252.01067	150.7
[M-H]-	228.01417	144.9
[M+NH4]+	247.05527	160.2
[M+K]+	267.98461	138.7
[M+H-H2O]+	212.01871	138.8
[M+HCOO]-	274.01965	163.0
[M+CH3COO]-	288.03530	191.1
[M+Na-2H]-	249.99612	149.2
[M]+	229.02090	157.1
[M]-	229.02200	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe