CID 22486048

2-ethyl-2h,3h-thieno[3,4-b][1,4]dioxine

Structural Information

Molecular Formula

C₈H₁₀O₂S

SMILES

CCC1COC2=CSC=C2O1

InChI

InChI=1S/C8H10O2S/c1-2-6-3-9-7-4-11-5-8(7)10-6/h4-6H,2-3H2,1H3

InChIKey

USEHYZSWYYJCHO-UHFFFAOYSA-N

Compound name

3-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 259
Patents: 170.04015 Da
Monoisotopic Mass: 2.3
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]+	171.04743	131.2
[M+Na]+	193.02937	140.1
[M-H]-	169.03287	137.4
[M+NH4]+	188.07397	152.9
[M+K]+	209.00331	140.6
[M+H-H2O]+	153.03741	127.2
[M+HCOO]-	215.03835	147.8
[M+CH3COO]-	229.05400	145.8
[M+Na-2H]-	191.01482	136.7
[M]+	170.03960	134.4
[M]-	170.04070	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe