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 141.7
[M+Na]+ 203.09032 149.0
[M-H]- 179.09382 140.1
[M+NH4]+ 198.13492 156.4
[M+K]+ 219.06426 145.0
[M+H-H2O]+ 163.09836 132.8
[M+HCOO]- 225.09930 156.5
[M+CH3COO]- 239.11495 152.2
[M+Na-2H]- 201.07577 144.4
[M]+ 180.10055 135.0
[M]- 180.10165 135.0
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.