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]+ 181.108376 141.7
[M+Na]+ 203.090318 149.0
[M-H]- 179.093824 140.1
[M+NH4]+ 198.134923 156.4
[M+K]+ 219.064258 145.0
[M+H-H2O]+ 163.098360 132.8
[M+HCOO]- 225.099301 156.5
[M+CH3COO]- 239.114951 152.2
[M+Na-2H]- 201.075766 144.4
[M]+ 180.10055142 135.0
[M]- 180.10164858 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.