CID 673140

120109-75-3

Structural Information

Molecular Formula

C₁₀H₁₃NO₂S

SMILES

CCOC(=O)C1=C(SC=C1C2CC2)N

InChI

InChI=1S/C10H13NO2S/c1-2-13-10(12)8-7(6-3-4-6)5-14-9(8)11/h5-6H,2-4,11H2,1H3

InChIKey

OUDJEFKPUDVQBS-UHFFFAOYSA-N

Compound name

ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 211.0667 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]+	212.07398	147.5
[M+Na]+	234.05592	158.2
[M+NH4]+	229.10052	156.3
[M+K]+	250.02986	154.4
[M-H]-	210.05942	156.9
[M+Na-2H]-	232.04137	154.2
[M]+	211.06615	153.0
[M]-	211.06725	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe