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]+ 181.108376 139.4
[M+Na]+ 203.090318 146.3
[M-H]- 179.093824 140.2
[M+NH4]+ 198.134923 155.7
[M+K]+ 219.064258 142.9
[M+H-H2O]+ 163.098360 130.9
[M+HCOO]- 225.099301 157.6
[M+CH3COO]- 239.114951 178.4
[M+Na-2H]- 201.075766 142.5
[M]+ 180.10055142 132.4
[M]- 180.10164858 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