CID 18537976

214782-04-4

Structural Information

Molecular Formula

C₉H₁₃N₃O₂

SMILES

CCOC(=O)C1=NC2=C(N1)CNCC2

InChI

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

InChIKey

GIYXBZCPRWYODH-UHFFFAOYSA-N

Compound name

ethyl 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 195.10077 Da
Monoisotopic Mass: 0.1
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	143.8
[M+Na]+	218.08999	150.6
[M-H]-	194.09349	141.2
[M+NH4]+	213.13459	160.5
[M+K]+	234.06393	147.4
[M+H-H2O]+	178.09803	136.3
[M+HCOO]-	240.09897	158.8
[M+CH3COO]-	254.11462	177.1
[M+Na-2H]-	216.07544	147.6
[M]+	195.10022	140.1
[M]-	195.10132	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe