CID 123889006

1038849-76-1

Structural Information

Molecular Formula

C₁₅H₂₁BO₃

SMILES

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

InChI

InChI=1S/C15H21BO3/c1-11(12-7-9-13(17-6)10-8-12)16-18-14(2,3)15(4,5)19-16/h7-10H,1H2,2-6H3

InChIKey

CUHFDTNNWBDAHC-UHFFFAOYSA-N

Compound name

2-[1-(4-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 260.1584 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]+	261.16568	155.2
[M+Na]+	283.14762	163.8
[M-H]-	259.15112	163.8
[M+NH4]+	278.19222	175.7
[M+K]+	299.12156	164.1
[M+H-H2O]+	243.15566	151.0
[M+HCOO]-	305.15660	175.0
[M+CH3COO]-	319.17225	197.1
[M+Na-2H]-	281.13307	159.5
[M]+	260.15785	159.2
[M]-	260.15895	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe