CID 137698899

5-(1-methyl-1h-pyrazol-4-yl)pyrazolidin-3-one

Structural Information

Molecular Formula
C7H10N4O
SMILES
CN1C=C(C=N1)C2CC(=O)NN2
InChI
InChI=1S/C7H10N4O/c1-11-4-5(3-8-11)6-2-7(12)10-9-6/h3-4,6,9H,2H2,1H3,(H,10,12)
InChIKey
OGNOVXVWXHACCB-UHFFFAOYSA-N
Compound name
5-(1-methylpyrazol-4-yl)pyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.08546 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.09274 136.3
[M+Na]+ 189.07468 144.9
[M-H]- 165.07818 135.6
[M+NH4]+ 184.11928 153.5
[M+K]+ 205.04862 141.7
[M+H-H2O]+ 149.08272 128.0
[M+HCOO]- 211.08366 153.7
[M+CH3COO]- 225.09931 148.0
[M+Na-2H]- 187.06013 137.9
[M]+ 166.08491 131.5
[M]- 166.08601 131.5
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.