CID 53433227

1092790-20-9

Structural Information

Molecular Formula

C₁₀H₁₀BNO₂

SMILES

B(C1=CC2=C(C=C1)N=C(C=C2)C)(O)O

InChI

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

InChIKey

MVMHGLOKEZYGNG-UHFFFAOYSA-N

Compound name

(2-methylquinolin-6-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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]+	188.08774	137.2
[M+Na]+	210.06968	146.0
[M-H]-	186.07318	138.2
[M+NH4]+	205.11428	155.6
[M+K]+	226.04362	142.5
[M+H-H2O]+	170.07772	131.1
[M+HCOO]-	232.07866	156.2
[M+CH3COO]-	246.09431	178.9
[M+Na-2H]-	208.05513	144.4
[M]+	187.07991	136.4
[M]-	187.08101	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe