CID 71299222

5-bromo-3-n-cyclopentylpyridine-2,3-diamine

Structural Information

Molecular Formula

C₁₀H₁₄BrN₃

SMILES

C1CCC(C1)NC2=C(N=CC(=C2)Br)N

InChI

InChI=1S/C10H14BrN3/c11-7-5-9(10(12)13-6-7)14-8-3-1-2-4-8/h5-6,8,14H,1-4H2,(H2,12,13)

InChIKey

RYIQTTKYLSTGCB-UHFFFAOYSA-N

Compound name

5-bromo-3-N-cyclopentylpyridine-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.03711 Da
Monoisotopic Mass: 2.4
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]+	256.044386	150.4
[M+Na]+	278.026328	159.8
[M-H]-	254.029834	157.6
[M+NH4]+	273.070933	170.5
[M+K]+	294.000268	147.8
[M+H-H2O]+	238.034370	148.4
[M+HCOO]-	300.035311	171.6
[M+CH3COO]-	314.050961	194.3
[M+Na-2H]-	276.011776	155.3
[M]+	255.03656142	163.7
[M]-	255.03765858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.