CID 45787279

1373393-41-9

Structural Information

Molecular Formula

C₉H₁₁BO₂

SMILES

B(C1=CC=CC=C1C2CC2)(O)O

InChI

InChI=1S/C9H11BO2/c11-10(12)9-4-2-1-3-8(9)7-5-6-7/h1-4,7,11-12H,5-6H2

InChIKey

ZCLHRLDHXOWWBG-UHFFFAOYSA-N

Compound name

(2-cyclopropylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 187
Patents: 162.0852 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]+	163.09248	128.2
[M+Na]+	185.07442	137.1
[M-H]-	161.07792	133.6
[M+NH4]+	180.11902	143.0
[M+K]+	201.04836	133.8
[M+H-H2O]+	145.08246	122.6
[M+HCOO]-	207.08340	149.8
[M+CH3COO]-	221.09905	176.7
[M+Na-2H]-	183.05987	134.2
[M]+	162.08465	128.8
[M]-	162.08575	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe