CID 67461533

922516-38-9

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₂

SMILES

COC(=O)C1=NN(C=C1)C2CCNCC2

InChI

InChI=1S/C10H15N3O2/c1-15-10(14)9-4-7-13(12-9)8-2-5-11-6-3-8/h4,7-8,11H,2-3,5-6H2,1H3

InChIKey

MGEOZJXQJRNYGL-UHFFFAOYSA-N

Compound name

methyl 1-piperidin-4-ylpyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 209.11642 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	210.12370	147.7
[M+Na]+	232.10564	153.2
[M-H]-	208.10914	148.3
[M+NH4]+	227.15024	163.0
[M+K]+	248.07958	150.9
[M+H-H2O]+	192.11368	138.8
[M+HCOO]-	254.11462	163.9
[M+CH3COO]-	268.13027	181.2
[M+Na-2H]-	230.09109	149.7
[M]+	209.11587	143.3
[M]-	209.11697	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe