CID 264105

4815-29-6

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

CCOC(=O)C1=C(SC2=C1CCC2)N

InChI

InChI=1S/C10H13NO2S/c1-2-13-10(12)8-6-4-3-5-7(6)14-9(8)11/h2-5,11H2,1H3

InChIKey

BOJXCJDYZJSPMZ-UHFFFAOYSA-N

Compound name

ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 64
Patents: 211.0667 Da
Monoisotopic Mass: 2.7
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]+	212.07398	146.5
[M+Na]+	234.05592	154.5
[M+NH4]+	229.10052	155.3
[M+K]+	250.02986	151.2
[M-H]-	210.05942	147.9
[M+Na-2H]-	232.04137	148.5
[M]+	211.06615	148.2
[M]-	211.06725	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe