CID 4684888

146449-90-3

Structural Information

Molecular Formula

C₁₁H₁₇BO₃

SMILES

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

InChI

InChI=1S/C11H17BO3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8,13-14H,2-4,9H2,1H3

InChIKey

WHFKSJLAGACWMF-UHFFFAOYSA-N

Compound name

(4-pentoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
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	146.7
[M+Na]+	231.11630	157.7
[M+NH4]+	226.16090	153.9
[M+K]+	247.09024	152.1
[M-H]-	207.11980	147.3
[M+Na-2H]-	229.10175	151.6
[M]+	208.12653	148.2
[M]-	208.12763	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe