CID 22558942

590417-56-4

Structural Information

Molecular Formula

C₉H₁₀BNO₂

SMILES

B(C1=C2C=CN(C2=CC=C1)C)(O)O

InChI

InChI=1S/C9H10BNO2/c1-11-6-5-7-8(10(12)13)3-2-4-9(7)11/h2-6,12-13H,1H3

InChIKey

GLLDFWAZHLTQLC-UHFFFAOYSA-N

Compound name

(1-methylindol-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 175.08046 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]+	176.08774	134.1
[M+Na]+	198.06968	146.9
[M+NH4]+	193.11428	142.5
[M+K]+	214.04362	143.4
[M-H]-	174.07318	134.9
[M+Na-2H]-	196.05513	139.8
[M]+	175.07991	136.0
[M]-	175.08101	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe