CID 16217512

357611-51-9

Structural Information

Molecular Formula

C₁₁H₁₇BO₃

SMILES

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

InChI

InChI=1S/C11H17BO3/c1-4-5-15-11-8(2)6-10(12(13)14)7-9(11)3/h6-7,13-14H,4-5H2,1-3H3

InChIKey

ISUPZUFVQLUFLM-UHFFFAOYSA-N

Compound name

(3,5-dimethyl-4-propoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
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	146.0
[M+Na]+	231.11630	157.7
[M+NH4]+	226.16090	153.2
[M+K]+	247.09024	152.6
[M-H]-	207.11980	146.7
[M+Na-2H]-	229.10175	150.5
[M]+	208.12653	147.7
[M]-	208.12763	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe