CID 21193114

278798-08-6

Structural Information

Molecular Formula
C8H13N3
SMILES
C1CNCCC1C2=CC=NN2
InChI
InChI=1S/C8H13N3/c1-4-9-5-2-7(1)8-3-6-10-11-8/h3,6-7,9H,1-2,4-5H2,(H,10,11)
InChIKey
FCKYIGWJVZIPLK-UHFFFAOYSA-N
Compound name
4-(1H-pyrazol-5-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

151.11095 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 133.8
[M+Na]+ 174.10017 139.0
[M-H]- 150.10367 132.8
[M+NH4]+ 169.14477 150.6
[M+K]+ 190.07411 135.4
[M+H-H2O]+ 134.10821 125.3
[M+HCOO]- 196.10915 149.6
[M+CH3COO]- 210.12480 144.5
[M+Na-2H]- 172.08562 138.3
[M]+ 151.11040 125.1
[M]- 151.11150 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