CID 23134192

741699-47-8

Structural Information

Molecular Formula

C₁₄H₂₁BO₄

SMILES

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

InChI

InChI=1S/C14H21BO4/c1-13(2)14(3,4)19-15(18-13)11-5-7-12(8-6-11)17-10-9-16/h5-8,16H,9-10H2,1-4H3

InChIKey

SYFCCAMEIIUWCU-UHFFFAOYSA-N

Compound name

2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 182
Patents: 264.1533 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]+	265.160576	155.9
[M+Na]+	287.142518	164.4
[M-H]-	263.146024	163.2
[M+NH4]+	282.187123	175.6
[M+K]+	303.116458	164.7
[M+H-H2O]+	247.150560	151.6
[M+HCOO]-	309.151501	175.5
[M+CH3COO]-	323.167151	193.6
[M+Na-2H]-	285.127966	161.6
[M]+	264.15275142	160.5
[M]-	264.15384858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe