CID 21091620

647853-32-5

Structural Information

Molecular Formula

C₈H₁₁BO₃

SMILES

B(C1=CC(=CC=C1)CCO)(O)O

InChI

InChI=1S/C8H11BO3/c10-5-4-7-2-1-3-8(6-7)9(11)12/h1-3,6,10-12H,4-5H2

InChIKey

GCSYFWQBJAJDGY-UHFFFAOYSA-N

Compound name

[3-(2-hydroxyethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 186
Patents: 166.08012 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]+	167.08740	133.7
[M+Na]+	189.06934	144.7
[M+NH4]+	184.11394	141.0
[M+K]+	205.04328	140.2
[M-H]-	165.07284	133.8
[M+Na-2H]-	187.05479	138.7
[M]+	166.07957	135.0
[M]-	166.08067	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe