CID 738459

Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S

SMILES

CCOC(=O)C1=C(C2=C(S1)N=CC=C2)N

InChI

InChI=1S/C10H10N2O2S/c1-2-14-10(13)8-7(11)6-4-3-5-12-9(6)15-8/h3-5H,2,11H2,1H3

InChIKey

HNLWHNQYBCCNLL-UHFFFAOYSA-N

Compound name

ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 121
Patents: 222.0463 Da
Monoisotopic Mass: 2.6
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]+	223.053576	145.3
[M+Na]+	245.035518	156.0
[M-H]-	221.039024	149.3
[M+NH4]+	240.080123	165.8
[M+K]+	261.009458	152.7
[M+H-H2O]+	205.043560	139.4
[M+HCOO]-	267.044501	165.3
[M+CH3COO]-	281.060151	187.7
[M+Na-2H]-	243.020966	148.6
[M]+	222.04575142	150.1
[M]-	222.04684858	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe