CID 78263

Ethyl 2-amino-5-ethylthiophene-3-carboxylate

Structural Information

Molecular Formula

C₉H₁₃NO₂S

SMILES

CCC1=CC(=C(S1)N)C(=O)OCC

InChI

InChI=1S/C9H13NO2S/c1-3-6-5-7(8(10)13-6)9(11)12-4-2/h5H,3-4,10H2,1-2H3

InChIKey

WJZCEFNVWQJNQI-UHFFFAOYSA-N

Compound name

ethyl 2-amino-5-ethylthiophene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 151
Patents: 199.0667 Da
Monoisotopic Mass: 2.9
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]+	200.07398	144.5
[M+Na]+	222.05592	153.6
[M+NH4]+	217.10052	152.4
[M+K]+	238.02986	148.5
[M-H]-	198.05942	145.8
[M+Na-2H]-	220.04137	147.7
[M]+	199.06615	146.3
[M]-	199.06725	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe