CID 71742132

1384264-76-9

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₂

SMILES

CCOC(=O)CC1=NC2=C(N1)CNCC2

InChI

InChI=1S/C10H15N3O2/c1-2-15-10(14)5-9-12-7-3-4-11-6-8(7)13-9/h11H,2-6H2,1H3,(H,12,13)

InChIKey

RNLYLZPZVHHFGF-UHFFFAOYSA-N

Compound name

ethyl 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 209.11642 Da
Monoisotopic Mass: -0.3
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	148.3
[M+Na]+	232.10564	154.6
[M-H]-	208.10914	145.4
[M+NH4]+	227.15024	164.4
[M+K]+	248.07958	151.2
[M+H-H2O]+	192.11368	140.6
[M+HCOO]-	254.11462	162.9
[M+CH3COO]-	268.13027	180.1
[M+Na-2H]-	230.09109	151.5
[M]+	209.11587	144.9
[M]-	209.11697	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe