CID 54592512

3-(1-phenyl-1h-pyrazol-5-yl)piperidine hydrochloride

Structural Information

Molecular Formula
C14H17N3
SMILES
C1CC(CNC1)C2=CC=NN2C3=CC=CC=C3
InChI
InChI=1S/C14H17N3/c1-2-6-13(7-3-1)17-14(8-10-16-17)12-5-4-9-15-11-12/h1-3,6-8,10,12,15H,4-5,9,11H2
InChIKey
IUYGSIPVDQCHKJ-UHFFFAOYSA-N
Compound name
3-(2-phenylpyrazol-3-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.14224 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.14952 152.6
[M+Na]+ 250.13146 157.9
[M-H]- 226.13496 156.1
[M+NH4]+ 245.17606 166.8
[M+K]+ 266.10540 152.7
[M+H-H2O]+ 210.13950 142.3
[M+HCOO]- 272.14044 169.3
[M+CH3COO]- 286.15609 162.8
[M+Na-2H]- 248.11691 156.0
[M]+ 227.14169 145.6
[M]- 227.14279 145.6
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

No patent data available for this compound.