CID 16106577

2-methoxyquinoline-3-boronic acid

Structural Information

Molecular Formula

C₁₀H₁₀BNO₃

SMILES

B(C1=CC2=CC=CC=C2N=C1OC)(O)O

InChI

InChI=1S/C10H10BNO3/c1-15-10-8(11(13)14)6-7-4-2-3-5-9(7)12-10/h2-6,13-14H,1H3

InChIKey

WLOYLJRUEIVOJC-UHFFFAOYSA-N

Compound name

(2-methoxyquinolin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 203.07538 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]+	204.08266	140.2
[M+Na]+	226.06460	148.8
[M-H]-	202.06810	141.2
[M+NH4]+	221.10920	157.9
[M+K]+	242.03854	146.0
[M+H-H2O]+	186.07264	133.8
[M+HCOO]-	248.07358	159.4
[M+CH3COO]-	262.08923	181.0
[M+Na-2H]-	224.05005	147.4
[M]+	203.07483	140.9
[M]-	203.07593	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe