CID 54592641

3-(4-methyl-1h-pyrazol-1-yl)piperidine

Structural Information

Molecular Formula
C9H15N3
SMILES
CC1=CN(N=C1)C2CCCNC2
InChI
InChI=1S/C9H15N3/c1-8-5-11-12(7-8)9-3-2-4-10-6-9/h5,7,9-10H,2-4,6H2,1H3
InChIKey
FWDVJOKDANNSCK-UHFFFAOYSA-N
Compound name
3-(4-methylpyrazol-1-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

165.1266 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.133876 138.0
[M+Na]+ 188.115818 144.2
[M-H]- 164.119324 138.6
[M+NH4]+ 183.160423 155.3
[M+K]+ 204.089758 141.1
[M+H-H2O]+ 148.123860 129.3
[M+HCOO]- 210.124801 155.0
[M+CH3COO]- 224.140451 149.3
[M+Na-2H]- 186.101266 141.6
[M]+ 165.12605142 131.8
[M]- 165.12714858 131.8
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