CID 10701825

2,3-diamino-5-methylpyridine

Structural Information

Molecular Formula

C₆H₉N₃

SMILES

CC1=CC(=C(N=C1)N)N

InChI

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

InChIKey

AITFREYTVOPXOT-UHFFFAOYSA-N

Compound name

5-methylpyridine-2,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 222
Patents: 123.07965 Da
Monoisotopic Mass: 0.2
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]+	124.08693	122.6
[M+Na]+	146.06887	134.6
[M+NH4]+	141.11347	131.2
[M+K]+	162.04281	129.1
[M-H]-	122.07237	125.5
[M+Na-2H]-	144.05432	129.7
[M]+	123.07910	124.9
[M]-	123.08020	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe