CID 12551412

1-methyl-4,5-dihydro-1h-pyrazol-3-amine hydrochloride

Structural Information

Molecular Formula

C₄H₉N₃

SMILES

CN1CCC(=N1)N

InChI

InChI=1S/C4H9N3/c1-7-3-2-4(5)6-7/h2-3H2,1H3,(H2,5,6)

InChIKey

SYLOETQSLYHKPY-UHFFFAOYSA-N

Compound name

2-methyl-3,4-dihydropyrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 99.07965 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]+	100.086926	117.9
[M+Na]+	122.068868	126.4
[M-H]-	98.072374	118.6
[M+NH4]+	117.113473	139.9
[M+K]+	138.042808	125.8
[M+H-H2O]+	82.076910	111.2
[M+HCOO]-	144.077851	141.1
[M+CH3COO]-	158.093501	167.3
[M+Na-2H]-	120.054316	123.9
[M]+	99.07910142	114.9
[M]-	99.08019858	114.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe