CID 18671699

400037-31-2

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

CCOC(=O)/C=C/C1=CN=C2N1C=CC=C2

InChI

InChI=1S/C12H12N2O2/c1-2-16-12(15)7-6-10-9-13-11-5-3-4-8-14(10)11/h3-9H,2H2,1H3/b7-6+

InChIKey

XPDPVQJYGZTQLK-VOTSOKGWSA-N

Compound name

ethyl (E)-3-imidazo[1,2-a]pyridin-3-ylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 216.08987 Da
Monoisotopic Mass: 2.4
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]+	217.09715	147.2
[M+Na]+	239.07909	160.2
[M+NH4]+	234.12369	154.5
[M+K]+	255.05303	155.3
[M-H]-	215.08259	147.5
[M+Na-2H]-	237.06454	153.0
[M]+	216.08932	148.9
[M]-	216.09042	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe