CID 131060075

2-(1h-pyrazol-4-yl)piperazine

Structural Information

Molecular Formula

C₇H₁₂N₄

SMILES

C1CNC(CN1)C2=CNN=C2

InChI

InChI=1S/C7H12N4/c1-2-9-7(5-8-1)6-3-10-11-4-6/h3-4,7-9H,1-2,5H2,(H,10,11)

InChIKey

QDEKQIPSPLAOPI-UHFFFAOYSA-N

Compound name

2-(1H-pyrazol-4-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 152.1062 Da
Monoisotopic Mass: -1.0
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]+	153.11348	134.4
[M+Na]+	175.09542	144.3
[M+NH4]+	170.14002	141.2
[M+K]+	191.06936	141.1
[M-H]-	151.09892	134.1
[M+Na-2H]-	173.08087	139.5
[M]+	152.10565	135.2
[M]-	152.10675	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe