CID 7537659

859851-02-8

Structural Information

Molecular Formula

SMILES

C1COC2=C(SC=C2O1)C#N

InChI

InChI=1S/C7H5NO2S/c8-3-6-7-5(4-11-6)9-1-2-10-7/h4H,1-2H2

InChIKey

HSQAPDOVCIFQCU-UHFFFAOYSA-N

Compound name

2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 167.0041 Da
Monoisotopic Mass: 1.4
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]+	168.01138	130.6
[M+Na]+	189.99332	142.0
[M+NH4]+	185.03792	136.9
[M+K]+	205.96726	133.6
[M-H]-	165.99682	127.8
[M+Na-2H]-	187.97877	132.4
[M]+	167.00355	131.1
[M]-	167.00465	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe