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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10838 140.8
[M+Na]+ 203.09032 148.6
[M-H]- 179.09382 140.6
[M+NH4]+ 198.13492 156.3
[M+K]+ 219.06426 145.4
[M+H-H2O]+ 163.09836 131.7
[M+HCOO]- 225.09930 157.1
[M+CH3COO]- 239.11495 152.0
[M+Na-2H]- 201.07577 144.0
[M]+ 180.10055 135.9
[M]- 180.10165 135.9
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

patents stripe