CID 42961301

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

Structural Information

Molecular Formula
C8H13N3
SMILES
C1CC(CNC1)C2=CC=NN2
InChI
InChI=1S/C8H13N3/c1-2-7(6-9-4-1)8-3-5-10-11-8/h3,5,7,9H,1-2,4,6H2,(H,10,11)
InChIKey
DZMZZFAVAYXTJD-UHFFFAOYSA-N
Compound name
3-(1H-pyrazol-5-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

44
Patents

151.11095 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.118226 133.8
[M+Na]+ 174.100168 139.0
[M-H]- 150.103674 132.8
[M+NH4]+ 169.144773 150.6
[M+K]+ 190.074108 135.4
[M+H-H2O]+ 134.108210 125.3
[M+HCOO]- 196.109151 149.6
[M+CH3COO]- 210.124801 144.5
[M+Na-2H]- 172.085616 138.3
[M]+ 151.11040142 125.1
[M]- 151.11149858 125.1
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

patents stripe