CID 46737142

2-(1h-pyrazol-3-yl)piperidine

Structural Information

Molecular Formula
C8H13N3
SMILES
C1CCNC(C1)C2=CC=NN2
InChI
InChI=1S/C8H13N3/c1-2-5-9-7(3-1)8-4-6-10-11-8/h4,6-7,9H,1-3,5H2,(H,10,11)
InChIKey
JNOYHGAZDBVHEM-UHFFFAOYSA-N
Compound name
2-(1H-pyrazol-5-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

151.11095 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 134.4
[M+Na]+ 174.10017 144.9
[M+NH4]+ 169.14477 142.3
[M+K]+ 190.07411 140.8
[M-H]- 150.10367 135.5
[M+Na-2H]- 172.08562 140.4
[M]+ 151.11040 135.8
[M]- 151.11150 135.8
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

patents stripe