CID 51072217

1287753-42-7

Structural Information

Molecular Formula

C₁₀H₁₀BNO₂

SMILES

B(C1=C(C=CC2=C1C=CC=N2)C)(O)O

InChI

InChI=1S/C10H10BNO2/c1-7-4-5-9-8(3-2-6-12-9)10(7)11(13)14/h2-6,13-14H,1H3

InChIKey

CNTWHKAWJCAEIJ-UHFFFAOYSA-N

Compound name

(6-methylquinolin-5-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 187.08046 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]+	188.087736	137.2
[M+Na]+	210.069678	146.0
[M-H]-	186.073184	138.2
[M+NH4]+	205.114283	155.6
[M+K]+	226.043618	142.5
[M+H-H2O]+	170.077720	131.1
[M+HCOO]-	232.078661	156.2
[M+CH3COO]-	246.094311	178.9
[M+Na-2H]-	208.055126	144.4
[M]+	187.07991142	136.4
[M]-	187.08100858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe