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

18
Patents

166.08546 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.09274 137.5
[M+Na]+ 189.07468 143.9
[M-H]- 165.07818 134.4
[M+NH4]+ 184.11928 151.8
[M+K]+ 205.04862 139.3
[M+H-H2O]+ 149.08272 128.8
[M+HCOO]- 211.08366 151.1
[M+CH3COO]- 225.09931 147.4
[M+Na-2H]- 187.06013 141.0
[M]+ 166.08491 128.2
[M]- 166.08601 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