CID 56766840

Methyl 2-{imidazo[1,2-a]pyridin-2-yl}acetate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

COC(=O)CC1=CN2C=CC=CC2=N1

InChI

InChI=1S/C10H10N2O2/c1-14-10(13)6-8-7-12-5-3-2-4-9(12)11-8/h2-5,7H,6H2,1H3

InChIKey

JYLNTHWBFGFUDL-UHFFFAOYSA-N

Compound name

methyl 2-imidazo[1,2-a]pyridin-2-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.07423 Da
Monoisotopic Mass: 1.6
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]+	191.081506	138.2
[M+Na]+	213.063448	148.5
[M-H]-	189.066954	140.7
[M+NH4]+	208.108053	158.2
[M+K]+	229.037388	146.2
[M+H-H2O]+	173.071490	131.0
[M+HCOO]-	235.072431	161.6
[M+CH3COO]-	249.088081	181.3
[M+Na-2H]-	211.048896	145.5
[M]+	190.07368142	142.3
[M]-	190.07477858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe