CID 54592627

2-(1h-pyrazol-1-ylmethyl)piperidine

Structural Information

Molecular Formula
C9H15N3
SMILES
C1CCNC(C1)CN2C=CC=N2
InChI
InChI=1S/C9H15N3/c1-2-5-10-9(4-1)8-12-7-3-6-11-12/h3,6-7,9-10H,1-2,4-5,8H2
InChIKey
ATBQLWNPIRCSIQ-UHFFFAOYSA-N
Compound name
2-(pyrazol-1-ylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 137.6
[M+Na]+ 188.115818 142.8
[M-H]- 164.119324 137.8
[M+NH4]+ 183.160423 154.6
[M+K]+ 204.089758 139.8
[M+H-H2O]+ 148.123860 128.6
[M+HCOO]- 210.124801 154.6
[M+CH3COO]- 224.140451 148.6
[M+Na-2H]- 186.101266 142.0
[M]+ 165.12605142 131.0
[M]- 165.12714858 131.0
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

No patent data available for this compound.