CID 44558120

1217500-56-5

Structural Information

Molecular Formula

C₁₀H₁₅BO₃

SMILES

B(C1=CC(=C(C=C1C)OCC)C)(O)O

InChI

InChI=1S/C10H15BO3/c1-4-14-10-6-7(2)9(11(12)13)5-8(10)3/h5-6,12-13H,4H2,1-3H3

InChIKey

LCSUJJZAQIIJTR-UHFFFAOYSA-N

Compound name

(4-ethoxy-2,5-dimethylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.11142 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]+	195.11870	141.5
[M+Na]+	217.10064	153.4
[M+NH4]+	212.14524	148.9
[M+K]+	233.07458	148.5
[M-H]-	193.10414	142.2
[M+Na-2H]-	215.08609	146.2
[M]+	194.11087	143.2
[M]-	194.11197	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe