CID 58685604

651030-56-7

Structural Information

Molecular Formula

C₁₄H₂₁BO₃

SMILES

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

InChI

InChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)12-7-5-6-11(10-12)8-9-16/h5-7,10,16H,8-9H2,1-4H3

InChIKey

NJOVPKLUJRKAGP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 248.15837 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]+	249.165646	152.9
[M+Na]+	271.147588	161.5
[M-H]-	247.151094	160.2
[M+NH4]+	266.192193	173.3
[M+K]+	287.121528	161.2
[M+H-H2O]+	231.155630	148.7
[M+HCOO]-	293.156571	172.3
[M+CH3COO]-	307.172221	191.5
[M+Na-2H]-	269.133036	158.4
[M]+	248.15782142	156.0
[M]-	248.15891858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe