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]+ 168.11315 137.4
[M+Na]+ 190.09509 143.4
[M-H]- 166.09859 135.5
[M+NH4]+ 185.13969 153.1
[M+K]+ 206.06903 138.6
[M+H-H2O]+ 150.10313 129.4
[M+HCOO]- 212.10407 152.1
[M+CH3COO]- 226.11972 147.6
[M+Na-2H]- 188.08054 140.6
[M]+ 167.10532 127.9
[M]- 167.10642 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.