CID 102782

2309-47-9

Structural Information

Molecular Formula

SMILES

CC(C1=CC=CS1)O

InChI

InChI=1S/C6H8OS/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3

InChIKey

WUNFIVTVJXZDDJ-UHFFFAOYSA-N

Compound name

1-thiophen-2-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 353
Patents: 128.02959 Da
Monoisotopic Mass: 1.2
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]+	129.03687	124.6
[M+Na]+	151.01881	135.2
[M+NH4]+	146.06341	134.3
[M+K]+	166.99275	129.6
[M-H]-	127.02231	126.2
[M+Na-2H]-	149.00426	129.7
[M]+	128.02904	126.9
[M]-	128.03014	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe