CID 12774755

N,1-dimethyl-1h-pyrazol-3-amine hydrochloride

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

CNC1=NN(C=C1)C

InChI

InChI=1S/C5H9N3/c1-6-5-3-4-8(2)7-5/h3-4H,1-2H3,(H,6,7)

InChIKey

KHWXEOSBFOWCJU-UHFFFAOYSA-N

Compound name

N,1-dimethylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 111.07965 Da
Monoisotopic Mass: 0.6
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	120.5
[M+Na]+	134.06887	131.9
[M+NH4]+	129.11347	128.9
[M+K]+	150.04281	128.1
[M-H]-	110.07237	121.6
[M+Na-2H]-	132.05432	127.0
[M]+	111.07910	122.2
[M]-	111.08020	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe