CID 230983

6-ethoxy-benzo[b]thiophen-3-ol

Structural Information

Molecular Formula

C₁₀H₁₀O₂S

SMILES

CCOC1=CC2=C(C=C1)C(=CS2)O

InChI

InChI=1S/C10H10O2S/c1-2-12-7-3-4-8-9(11)6-13-10(8)5-7/h3-6,11H,2H2,1H3

InChIKey

IKSIVAMIINQNBN-UHFFFAOYSA-N

Compound name

6-ethoxy-1-benzothiophen-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 194.04015 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]+	195.04743	137.9
[M+Na]+	217.02937	151.3
[M+NH4]+	212.07397	147.9
[M+K]+	233.00331	144.1
[M-H]-	193.03287	140.6
[M+Na-2H]-	215.01482	144.1
[M]+	194.03960	141.1
[M]-	194.04070	141.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.