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]+ 166.13388 137.6
[M+Na]+ 188.11582 142.8
[M-H]- 164.11932 137.8
[M+NH4]+ 183.16042 154.6
[M+K]+ 204.08976 139.8
[M+H-H2O]+ 148.12386 128.6
[M+HCOO]- 210.12480 154.6
[M+CH3COO]- 224.14045 148.6
[M+Na-2H]- 186.10127 142.0
[M]+ 165.12605 131.0
[M]- 165.12715 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.