CID 573813

1,5-dimethyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

CC1=C(C=NN1C)N

InChI

InChI=1S/C5H9N3/c1-4-5(6)3-7-8(4)2/h3H,6H2,1-2H3

InChIKey

JKSYHPUINDBWRF-UHFFFAOYSA-N

Compound name

1,5-dimethylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 286
Patents: 111.07965 Da
Monoisotopic Mass: 0.0
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]+	112.08693	120.4
[M+Na]+	134.06887	131.8
[M+NH4]+	129.11347	128.6
[M+K]+	150.04281	128.5
[M-H]-	110.07237	121.4
[M+Na-2H]-	132.05432	126.2
[M]+	111.07910	122.1
[M]-	111.08020	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe