CID 139343789

2763750-58-7

Structural Information

Molecular Formula
C7H10N4O
SMILES
C1C(NC(=O)CN1)C2=CNN=C2
InChI
InChI=1S/C7H10N4O/c12-7-4-8-3-6(11-7)5-1-9-10-2-5/h1-2,6,8H,3-4H2,(H,9,10)(H,11,12)
InChIKey
ZOFMIVIXYCWMMZ-UHFFFAOYSA-N
Compound name
6-(1H-pyrazol-4-yl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

166.08546 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.092736 137.5
[M+Na]+ 189.074678 143.9
[M-H]- 165.078184 134.4
[M+NH4]+ 184.119283 151.8
[M+K]+ 205.048618 139.3
[M+H-H2O]+ 149.082720 128.8
[M+HCOO]- 211.083661 151.1
[M+CH3COO]- 225.099311 147.4
[M+Na-2H]- 187.060126 141.0
[M]+ 166.08491142 128.2
[M]- 166.08600858 128.2
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