CID 11983371

96803-30-4

Structural Information

Molecular Formula

C₁₀H₁₀OS

SMILES

C1=CC2=C(C=CS2)C=C1CCO

InChI

InChI=1S/C10H10OS/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,4,6-7,11H,3,5H2

InChIKey

DSZAQLDIEKUEMB-UHFFFAOYSA-N

Compound name

2-(1-benzothiophen-5-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 178.04524 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]+	179.052516	134.2
[M+Na]+	201.034458	144.8
[M-H]-	177.037964	138.5
[M+NH4]+	196.079063	157.7
[M+K]+	217.008398	140.7
[M+H-H2O]+	161.042500	129.7
[M+HCOO]-	223.043441	154.3
[M+CH3COO]-	237.059091	148.8
[M+Na-2H]-	199.019906	139.3
[M]+	178.04469142	138.0
[M]-	178.04578858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe