CID 24903729

5-bromo-n4-ethylpyridine-3,4-diamine

Structural Information

Molecular Formula

C₇H₁₀BrN₃

SMILES

CCNC1=C(C=NC=C1N)Br

InChI

InChI=1S/C7H10BrN3/c1-2-11-7-5(8)3-10-4-6(7)9/h3-4H,2,9H2,1H3,(H,10,11)

InChIKey

GMVUJEJUOUSPCP-UHFFFAOYSA-N

Compound name

5-bromo-4-N-ethylpyridine-3,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 215.00581 Da
Monoisotopic Mass: 1.2
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]+	216.01309	139.4
[M+Na]+	237.99503	142.0
[M+NH4]+	233.03963	144.1
[M+K]+	253.96897	142.0
[M-H]-	213.99853	140.7
[M+Na-2H]-	235.98048	143.1
[M]+	215.00526	138.8
[M]-	215.00636	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe