CID 15643884

5,5-dimethyl-5h,6h,7h-thieno[3,2-b]pyran-7-one

Structural Information

Molecular Formula

C₉H₁₀O₂S

SMILES

CC1(CC(=O)C2=C(O1)C=CS2)C

InChI

InChI=1S/C9H10O2S/c1-9(2)5-6(10)8-7(11-9)3-4-12-8/h3-4H,5H2,1-2H3

InChIKey

NGCQGLVSMGNFAB-UHFFFAOYSA-N

Compound name

5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 182.04015 Da
Monoisotopic Mass: 2.0
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]+	183.04743	136.2
[M+Na]+	205.02937	148.1
[M+NH4]+	200.07397	147.6
[M+K]+	221.00331	140.1
[M-H]-	181.03287	139.8
[M+Na-2H]-	203.01482	141.7
[M]+	182.03960	139.6
[M]-	182.04070	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe