CID 63079591

3-(1h-pyrazol-5-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₆H₇N₅

SMILES

C1=C(NN=C1)C2=CC(=NN2)N

InChI

InChI=1S/C6H7N5/c7-6-3-5(10-11-6)4-1-2-8-9-4/h1-3H,(H,8,9)(H3,7,10,11)

InChIKey

AGAWULXWGKVCDM-UHFFFAOYSA-N

Compound name

5-(1H-pyrazol-5-yl)-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 149.07014 Da
Monoisotopic Mass: -0.1
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]+	150.077416	126.7
[M+Na]+	172.059358	136.8
[M-H]-	148.062864	126.5
[M+NH4]+	167.103963	144.2
[M+K]+	188.033298	132.8
[M+H-H2O]+	132.067400	118.2
[M+HCOO]-	194.068341	148.9
[M+CH3COO]-	208.083991	139.6
[M+Na-2H]-	170.044806	132.5
[M]+	149.06959142	123.2
[M]-	149.07068858	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe