CID 18770201

(2-cyclopropoxyphenyl)boronic acid

Structural Information

Molecular Formula

C₉H₁₁BO₃

SMILES

B(C1=CC=CC=C1OC2CC2)(O)O

InChI

InChI=1S/C9H11BO3/c11-10(12)8-3-1-2-4-9(8)13-7-5-6-7/h1-4,7,11-12H,5-6H2

InChIKey

VBEGXBKJOHNRNH-UHFFFAOYSA-N

Compound name

(2-cyclopropyloxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 178.08012 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]+	179.087396	132.0
[M+Na]+	201.069338	140.7
[M-H]-	177.072844	137.2
[M+NH4]+	196.113943	146.0
[M+K]+	217.043278	137.8
[M+H-H2O]+	161.077380	126.1
[M+HCOO]-	223.078321	153.6
[M+CH3COO]-	237.093971	178.7
[M+Na-2H]-	199.054786	137.8
[M]+	178.07957142	133.9
[M]-	178.08066858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe