CID 2734673

4023-02-3

Structural Information

Molecular Formula

C₄H₆N₄

SMILES

C1=CN(N=C1)C(=N)N

InChI

InChI=1S/C4H6N4/c5-4(6)8-3-1-2-7-8/h1-3H,(H3,5,6)

InChIKey

UCQFSGCWHRTMGG-UHFFFAOYSA-N

Compound name

pyrazole-1-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 3963
Patents: 110.05925 Da
Monoisotopic Mass: -0.4
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]+	111.06653	119.6
[M+Na]+	133.04847	128.8
[M+NH4]+	128.09307	127.0
[M+K]+	149.02241	126.5
[M-H]-	109.05197	120.3
[M+Na-2H]-	131.03392	125.3
[M]+	110.05870	120.6
[M]-	110.05980	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe