CID 67076055

5-(4-amino-1h-pyrazol-1-yl)piperidin-2-one

Structural Information

Molecular Formula
C8H12N4O
SMILES
C1CC(=O)NCC1N2C=C(C=N2)N
InChI
InChI=1S/C8H12N4O/c9-6-3-11-12(5-6)7-1-2-8(13)10-4-7/h3,5,7H,1-2,4,9H2,(H,10,13)
InChIKey
PXLUSILRNMCAHZ-UHFFFAOYSA-N
Compound name
5-(4-aminopyrazol-1-yl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

180.1011 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10838 139.4
[M+Na]+ 203.09032 146.3
[M-H]- 179.09382 140.2
[M+NH4]+ 198.13492 155.7
[M+K]+ 219.06426 142.9
[M+H-H2O]+ 163.09836 130.9
[M+HCOO]- 225.09930 157.6
[M+CH3COO]- 239.11495 178.4
[M+Na-2H]- 201.07577 142.5
[M]+ 180.10055 132.4
[M]- 180.10165 132.4
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