CID 62349814

3-(1-methyl-1h-pyrazol-4-yl)piperazin-2-one

Structural Information

Molecular Formula
C8H12N4O
SMILES
CN1C=C(C=N1)C2C(=O)NCCN2
InChI
InChI=1S/C8H12N4O/c1-12-5-6(4-11-12)7-8(13)10-3-2-9-7/h4-5,7,9H,2-3H2,1H3,(H,10,13)
InChIKey
LUWBVCUIWAYWIK-UHFFFAOYSA-N
Compound name
3-(1-methylpyrazol-4-yl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1011 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10838 141.1
[M+Na]+ 203.09032 151.7
[M+NH4]+ 198.13492 147.2
[M+K]+ 219.06426 148.7
[M-H]- 179.09382 140.7
[M+Na-2H]- 201.07577 145.5
[M]+ 180.10055 142.0
[M]- 180.10165 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.