CID 18537904

214778-28-6

Structural Information

Molecular Formula

C₉H₉N₃O₂

SMILES

CCOC(=O)C1=NC2=C(N1)C=NC=C2

InChI

InChI=1S/C9H9N3O2/c1-2-14-9(13)8-11-6-3-4-10-5-7(6)12-8/h3-5H,2H2,1H3,(H,11,12)

InChIKey

IRKUAHWNUMPODE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 191.06947 Da
Monoisotopic Mass: 1.0
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]+	192.07675	139.0
[M+Na]+	214.05869	151.7
[M+NH4]+	209.10329	145.9
[M+K]+	230.03263	148.3
[M-H]-	190.06219	138.3
[M+Na-2H]-	212.04414	144.6
[M]+	191.06892	140.4
[M]-	191.07002	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe