CID 119790

N2-methylpyridine-2,5-diamine

Structural Information

Molecular Formula

C₆H₉N₃

SMILES

CNC1=NC=C(C=C1)N

InChI

InChI=1S/C6H9N3/c1-8-6-3-2-5(7)4-9-6/h2-4H,7H2,1H3,(H,8,9)

InChIKey

XKEDDRXJMAVORI-UHFFFAOYSA-N

Compound name

2-N-methylpyridine-2,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 123.07965 Da
Monoisotopic Mass: 0.5
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]+	124.08693	122.7
[M+Na]+	146.06887	134.5
[M+NH4]+	141.11347	131.4
[M+K]+	162.04281	128.7
[M-H]-	122.07237	125.7
[M+Na-2H]-	144.05432	130.5
[M]+	123.07910	125.0
[M]-	123.08020	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe