CID 137938763

Methyl 1-methyl-3-(piperidin-3-yl)-1h-pyrazole-4-carboxylate hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₂

SMILES

CN1C=C(C(=N1)C2CCCNC2)C(=O)OC

InChI

InChI=1S/C11H17N3O2/c1-14-7-9(11(15)16-2)10(13-14)8-4-3-5-12-6-8/h7-8,12H,3-6H2,1-2H3

InChIKey

GREVMAJDGWJMOC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.13208 Da
Monoisotopic Mass: 0.2
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]+	224.139356	152.2
[M+Na]+	246.121298	158.3
[M-H]-	222.124804	153.1
[M+NH4]+	241.165903	167.3
[M+K]+	262.095238	155.7
[M+H-H2O]+	206.129340	143.5
[M+HCOO]-	268.130281	168.2
[M+CH3COO]-	282.145931	185.3
[M+Na-2H]-	244.106746	153.0
[M]+	223.13153142	148.6
[M]-	223.13262858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.