CID 15836633

2-(5,6-dihydro-2h-pyran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula

C₁₁H₁₉BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CCCOC2

InChI

InChI=1S/C11H19BO3/c1-10(2)11(3,4)15-12(14-10)9-6-5-7-13-8-9/h6H,5,7-8H2,1-4H3

InChIKey

ABXRLUFQGNZBME-UHFFFAOYSA-N

Compound name

2-(3,6-dihydro-2H-pyran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 204
Patents: 210.14273 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]+	211.150006	142.5
[M+Na]+	233.131948	149.9
[M-H]-	209.135454	151.2
[M+NH4]+	228.176553	163.3
[M+K]+	249.105888	152.5
[M+H-H2O]+	193.139990	138.8
[M+HCOO]-	255.140931	160.5
[M+CH3COO]-	269.156581	185.0
[M+Na-2H]-	231.117396	149.5
[M]+	210.14218142	143.7
[M]-	210.14327858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe