CID 10559726

13735-11-0

Structural Information

Molecular Formula

C₁₀H₁₀O₂S

SMILES

COC1=CC2=C(C=C1)SCCC2=O

InChI

InChI=1S/C10H10O2S/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10/h2-3,6H,4-5H2,1H3

InChIKey

ZOTKXOURMMKHFC-UHFFFAOYSA-N

Compound name

6-methoxy-2,3-dihydrothiochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 194.04015 Da
Monoisotopic Mass: 1.9
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	137.6
[M+Na]+	217.02937	150.9
[M+NH4]+	212.07397	147.9
[M+K]+	233.00331	141.8
[M-H]-	193.03287	140.9
[M+Na-2H]-	215.01482	143.8
[M]+	194.03960	141.0
[M]-	194.04070	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe