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]+ 167.092736 136.3
[M+Na]+ 189.074678 144.9
[M-H]- 165.078184 135.6
[M+NH4]+ 184.119283 153.5
[M+K]+ 205.048618 141.7
[M+H-H2O]+ 149.082720 128.0
[M+HCOO]- 211.083661 153.7
[M+CH3COO]- 225.099311 148.0
[M+Na-2H]- 187.060126 137.9
[M]+ 166.08491142 131.5
[M]- 166.08600858 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.