CID 737094

Methyl 2-amino-5-ethylthiophene-3-carboxylate

Structural Information

Molecular Formula

C₈H₁₁NO₂S

SMILES

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

InChI

InChI=1S/C8H11NO2S/c1-3-5-4-6(7(9)12-5)8(10)11-2/h4H,3,9H2,1-2H3

InChIKey

YFGOHKLTZXZUPH-UHFFFAOYSA-N

Compound name

methyl 2-amino-5-ethylthiophene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 54
Patents: 185.05106 Da
Monoisotopic Mass: 2.5
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]+	186.05834	140.2
[M+Na]+	208.04028	149.5
[M+NH4]+	203.08488	148.3
[M+K]+	224.01422	144.6
[M-H]-	184.04378	141.5
[M+Na-2H]-	206.02573	143.6
[M]+	185.05051	142.1
[M]-	185.05161	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe