CID 15543685

379216-53-2

Structural Information

Molecular Formula

C₁₁H₁₉BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2CCC(=O)C2

InChI

InChI=1S/C11H19BO3/c1-10(2)11(3,4)15-12(14-10)8-5-6-9(13)7-8/h8H,5-7H2,1-4H3

InChIKey

UGLFXZQPFUVKQB-UHFFFAOYSA-N

Compound name

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	211.15001	141.2
[M+Na]+	233.13195	149.5
[M-H]-	209.13545	149.5
[M+NH4]+	228.17655	165.3
[M+K]+	249.10589	150.3
[M+H-H2O]+	193.13999	138.9
[M+HCOO]-	255.14093	161.1
[M+CH3COO]-	269.15658	185.4
[M+Na-2H]-	231.11740	144.9
[M]+	210.14218	142.2
[M]-	210.14328	142.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.