CID 166466250

2891848-22-7

Structural Information

Molecular Formula

C₁₀H₁₀BNO₂

SMILES

B(C1=CN=C(C2=CC=CC=C12)C)(O)O

InChI

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

InChIKey

MJERKHQYNISNEQ-UHFFFAOYSA-N

Compound name

(1-methylisoquinolin-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
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	137.9
[M+Na]+	210.06968	151.7
[M+NH4]+	205.11428	146.4
[M+K]+	226.04362	145.8
[M-H]-	186.07318	139.5
[M+Na-2H]-	208.05513	144.4
[M]+	187.07991	140.3
[M]-	187.08101	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe