CID 16218139

1198156-69-2

Structural Information

Molecular Formula

C₁₁H₁₇BO₃

SMILES

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

InChI

InChI=1S/C11H17BO3/c1-9(2)7-8-15-11-5-3-10(4-6-11)12(13)14/h3-6,9,13-14H,7-8H2,1-2H3

InChIKey

AJZCFXNTJZWRPP-UHFFFAOYSA-N

Compound name

[4-(3-methylbutoxy)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	146.8
[M+Na]+	231.11630	157.4
[M+NH4]+	226.16090	153.9
[M+K]+	247.09024	152.7
[M-H]-	207.11980	147.1
[M+Na-2H]-	229.10175	151.3
[M]+	208.12653	148.2
[M]-	208.12763	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe