CID 64263444

1-(1-methyl-1h-pyrazol-4-yl)piperazin-2-one

Structural Information

Molecular Formula

C₈H₁₂N₄O

SMILES

CN1C=C(C=N1)N2CCNCC2=O

InChI

InChI=1S/C8H12N4O/c1-11-6-7(4-10-11)12-3-2-9-5-8(12)13/h4,6,9H,2-3,5H2,1H3

InChIKey

QWCNINBVJBCGES-UHFFFAOYSA-N

Compound name

1-(1-methylpyrazol-4-yl)piperazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 180.1011 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]+	181.10838	140.7
[M+Na]+	203.09032	151.8
[M+NH4]+	198.13492	147.2
[M+K]+	219.06426	148.6
[M-H]-	179.09382	140.8
[M+Na-2H]-	201.07577	145.7
[M]+	180.10055	141.9
[M]-	180.10165	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe