CID 14141556

114653-18-8

Structural Information

Molecular Formula

C₁₆H₂₃BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)/C=C/COCC2=CC=CC=C2

InChI

InChI=1S/C16H23BO3/c1-15(2)16(3,4)20-17(19-15)11-8-12-18-13-14-9-6-5-7-10-14/h5-11H,12-13H2,1-4H3/b11-8+

InChIKey

BTARFBQKFDEYQI-DHZHZOJOSA-N

Compound name

4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 274.174 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]+	275.181276	161.2
[M+Na]+	297.163218	168.9
[M-H]-	273.166724	169.2
[M+NH4]+	292.207823	180.9
[M+K]+	313.137158	168.4
[M+H-H2O]+	257.171260	156.2
[M+HCOO]-	319.172201	181.7
[M+CH3COO]-	333.187851	197.3
[M+Na-2H]-	295.148666	166.6
[M]+	274.17345142	165.6
[M]-	274.17454858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe