CID 44558549

926926-62-7

Structural Information

Molecular Formula

C₉H₁₃N₃O₂

SMILES

CCOC(=O)C1=NNC2=C1CNCC2

InChI

InChI=1S/C9H13N3O2/c1-2-14-9(13)8-6-5-10-4-3-7(6)11-12-8/h10H,2-5H2,1H3,(H,11,12)

InChIKey

PMOHZPNLNJKKRE-UHFFFAOYSA-N

Compound name

ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 195.10077 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]+	196.10805	143.7
[M+Na]+	218.08999	153.1
[M+NH4]+	213.13459	150.0
[M+K]+	234.06393	150.5
[M-H]-	194.09349	141.9
[M+Na-2H]-	216.07544	146.0
[M]+	195.10022	144.0
[M]-	195.10132	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe