CID 3708480

1024017-53-5

Structural Information

Molecular Formula

C₁₁H₁₇BO₃

SMILES

B(C1=CC=C(C=C1)COC(C)(C)C)(O)O

InChI

InChI=1S/C11H17BO3/c1-11(2,3)15-8-9-4-6-10(7-5-9)12(13)14/h4-7,13-14H,8H2,1-3H3

InChIKey

SWBBCXVELDRAPH-UHFFFAOYSA-N

Compound name

[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 208.12708 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]+	209.13436	146.6
[M+Na]+	231.11630	157.3
[M+NH4]+	226.16090	153.6
[M+K]+	247.09024	153.0
[M-H]-	207.11980	146.6
[M+Na-2H]-	229.10175	151.4
[M]+	208.12653	148.0
[M]-	208.12763	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe