CID 45588125

885692-91-1

Structural Information

Molecular Formula

C₁₁H₁₇BO₂S

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(C=CS2)C

InChI

InChI=1S/C11H17BO2S/c1-8-6-7-15-9(8)12-13-10(2,3)11(4,5)14-12/h6-7H,1-5H3

InChIKey

DGJCULPYCMEHFZ-UHFFFAOYSA-N

Compound name

4,4,5,5-tetramethyl-2-(3-methylthiophen-2-yl)-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 224.10423 Da
Monoisotopic Mass: None
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]+	225.11151	146.2
[M+Na]+	247.09345	157.2
[M+NH4]+	242.13805	158.2
[M+K]+	263.06739	150.2
[M-H]-	223.09695	151.9
[M+Na-2H]-	245.07890	153.0
[M]+	224.10368	150.3
[M]-	224.10478	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe