CID 11829352

1h-pyrazol-1-amine

Structural Information

Molecular Formula

C₃H₅N₃

SMILES

C1=CN(N=C1)N

InChI

InChI=1S/C3H5N3/c4-6-3-1-2-5-6/h1-3H,4H2

InChIKey

NYIGEYYREVRXES-UHFFFAOYSA-N

Compound name

pyrazol-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 7202
Patents: 83.04835 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]+	84.055626	111.1
[M+Na]+	106.03757	120.2
[M-H]-	82.041074	112.0
[M+NH4]+	101.08217	133.6
[M+K]+	122.01151	119.6
[M+H-H2O]+	66.045610	104.4
[M+HCOO]-	128.04655	136.2
[M+CH3COO]-	142.06220	162.8
[M+Na-2H]-	104.02302	119.5
[M]+	83.047801	108.8
[M]-	83.048899	108.8

Literature stripe

literature stripe

Patent stripe

patents stripe