CID 122155898

Ethyl 5-(pyrrolidin-3-yl)-1h-pyrazole-4-carboxylate dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₂

SMILES

CCOC(=O)C1=C(NN=C1)C2CCNC2

InChI

InChI=1S/C10H15N3O2/c1-2-15-10(14)8-6-12-13-9(8)7-3-4-11-5-7/h6-7,11H,2-5H2,1H3,(H,12,13)

InChIKey

ODVHDTNGIFMTCN-UHFFFAOYSA-N

Compound name

ethyl 5-pyrrolidin-3-yl-1H-pyrazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.11642 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]+	210.123696	148.2
[M+Na]+	232.105638	154.1
[M-H]-	208.109144	148.1
[M+NH4]+	227.150243	164.7
[M+K]+	248.079578	151.4
[M+H-H2O]+	192.113680	139.9
[M+HCOO]-	254.114621	165.2
[M+CH3COO]-	268.130271	178.7
[M+Na-2H]-	230.091086	148.1
[M]+	209.11587142	144.2
[M]-	209.11696858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.