CID 10154007

1h-pyrazole-3,4-diamine

Structural Information

Molecular Formula

C₃H₆N₄

SMILES

C1=NNC(=C1N)N

InChI

InChI=1S/C3H6N4/c4-2-1-6-7-3(2)5/h1H,4H2,(H3,5,6,7)

InChIKey

LHGQFZQWSOXLEW-UHFFFAOYSA-N

Compound name

1H-pyrazole-4,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5510
Patents: 98.05925 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]+	99.066526	115.1
[M+Na]+	121.04847	124.3
[M+NH4]+	116.09307	122.5
[M+K]+	137.02241	122.3
[M-H]-	97.051974	115.5
[M+Na-2H]-	119.03392	120.2
[M]+	98.058701	116.0
[M]-	98.059799	116.0

Literature stripe

literature stripe

Patent stripe

patents stripe