CID 60783292

2-(3-amino-1h-pyrazol-1-yl)acetonitrile

Structural Information

Molecular Formula

C₅H₆N₄

SMILES

C1=CN(N=C1N)CC#N

InChI

InChI=1S/C5H6N4/c6-2-4-9-3-1-5(7)8-9/h1,3H,4H2,(H2,7,8)

InChIKey

IJHPTDNLLKXCTL-UHFFFAOYSA-N

Compound name

2-(3-aminopyrazol-1-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 122.05925 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]+	123.06653	125.6
[M+Na]+	145.04847	135.9
[M+NH4]+	140.09307	129.9
[M+K]+	161.02241	129.4
[M-H]-	121.05197	119.0
[M+Na-2H]-	143.03392	128.8
[M]+	122.05870	124.1
[M]-	122.05980	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe