CID 135392277

2152645-07-1

Structural Information

Molecular Formula

C₁₁H₁₉BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C23CC(C2)C3

InChI

InChI=1S/C11H19BO2/c1-9(2)10(3,4)14-12(13-9)11-5-8(6-11)7-11/h8H,5-7H2,1-4H3

InChIKey

VLUPSUNLCGSYAH-UHFFFAOYSA-N

Compound name

2-(1-bicyclo[1.1.1]pentanyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.14781 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]+	195.15509	144.3
[M+Na]+	217.13703	148.7
[M-H]-	193.14053	151.5
[M+NH4]+	212.18163	151.5
[M+K]+	233.11097	155.0
[M+H-H2O]+	177.14507	134.8
[M+HCOO]-	239.14601	155.6
[M+CH3COO]-	253.16166	211.9
[M+Na-2H]-	215.12248	151.1
[M]+	194.14726	170.5
[M]-	194.14836	170.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.