CID 12576605

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

Structural Information

Molecular Formula

C₃H₇N₃

SMILES

C1CNN=C1N

InChI

InChI=1S/C3H7N3/c4-3-1-2-5-6-3/h5H,1-2H2,(H2,4,6)

InChIKey

KMFMGDTYKKZYSE-UHFFFAOYSA-N

Compound name

4,5-dihydro-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 141
Patents: 85.063995 Da
Monoisotopic Mass: -0.8
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]+	86.071271	114.0
[M+Na]+	108.05321	121.6
[M-H]-	84.056719	113.1
[M+NH4]+	103.09782	135.5
[M+K]+	124.02715	120.3
[M+H-H2O]+	68.061255	107.4
[M+HCOO]-	130.06220	136.1
[M+CH3COO]-	144.07785	160.5
[M+Na-2H]-	106.03866	120.8
[M]+	85.063446	108.3
[M]-	85.064544	108.3

Literature stripe

literature stripe

Patent stripe

patents stripe