CID 21193045

4-(1h-pyrazol-1-yl)piperidine

Structural Information

Molecular Formula
C8H13N3
SMILES
C1CNCCC1N2C=CC=N2
InChI
InChI=1S/C8H13N3/c1-4-10-11(7-1)8-2-5-9-6-3-8/h1,4,7-9H,2-3,5-6H2
InChIKey
WGNPNAOPVBYTKD-UHFFFAOYSA-N
Compound name
4-pyrazol-1-ylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

524
Patents

151.11095 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 133.2
[M+Na]+ 174.10017 138.8
[M-H]- 150.10367 133.6
[M+NH4]+ 169.14477 150.7
[M+K]+ 190.07411 136.1
[M+H-H2O]+ 134.10821 124.4
[M+HCOO]- 196.10915 150.5
[M+CH3COO]- 210.12480 144.6
[M+Na-2H]- 172.08562 138.1
[M]+ 151.11040 126.3
[M]- 151.11150 126.3
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