CID 337310

1-ethyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

CCN1C(=CC=N1)N

InChI

InChI=1S/C5H9N3/c1-2-8-5(6)3-4-7-8/h3-4H,2,6H2,1H3

InChIKey

FSJOLBAFVKSQQJ-UHFFFAOYSA-N

Compound name

2-ethylpyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 920
Patents: 111.07965 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]+	112.086926	120.3
[M+Na]+	134.068868	129.5
[M-H]-	110.072374	121.3
[M+NH4]+	129.113473	142.0
[M+K]+	150.042808	128.3
[M+H-H2O]+	94.076910	113.6
[M+HCOO]-	156.077851	144.8
[M+CH3COO]-	170.093501	169.9
[M+Na-2H]-	132.054316	126.9
[M]+	111.07910142	119.1
[M]-	111.08019858	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe