CID 15260011

167693-19-8

Structural Information

Molecular Formula

C₁₂H₂₁BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C=C2CCCC2

InChI

InChI=1S/C12H21BO2/c1-11(2)12(3,4)15-13(14-11)9-10-7-5-6-8-10/h9H,5-8H2,1-4H3

InChIKey

HMMQKSRJXWCQNW-UHFFFAOYSA-N

Compound name

2-(cyclopentylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 208.16347 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]+	209.17075	144.6
[M+Na]+	231.15269	151.7
[M-H]-	207.15619	152.3
[M+NH4]+	226.19729	168.5
[M+K]+	247.12663	151.8
[M+H-H2O]+	191.16073	141.7
[M+HCOO]-	253.16167	163.9
[M+CH3COO]-	267.17732	184.4
[M+Na-2H]-	229.13814	147.9
[M]+	208.16292	143.9
[M]-	208.16402	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe