CID 3238023

5-(piperidin-4-yl)-2,3-dihydro-1h-pyrazol-3-one dihydrochloride

Structural Information

Molecular Formula
C8H13N3O
SMILES
C1CNCCC1C2=CC(=O)NN2
InChI
InChI=1S/C8H13N3O/c12-8-5-7(10-11-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H2,10,11,12)
InChIKey
ZEIPMWRDENQLAY-UHFFFAOYSA-N
Compound name
5-piperidin-4-yl-1,2-dihydropyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

167.10587 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 137.4
[M+Na]+ 190.095088 143.4
[M-H]- 166.098594 135.5
[M+NH4]+ 185.139693 153.1
[M+K]+ 206.069028 138.6
[M+H-H2O]+ 150.103130 129.4
[M+HCOO]- 212.104071 152.1
[M+CH3COO]- 226.119721 147.6
[M+Na-2H]- 188.080536 140.6
[M]+ 167.10532142 127.9
[M]- 167.10641858 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.