CID 56776692

1443380-07-1

Structural Information

Molecular Formula

C₉H₁₀BNO₂

SMILES

B(C1=C2C(=CC=C1)C=CN2C)(O)O

InChI

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

InChIKey

QDSZQBBGYYIBAE-UHFFFAOYSA-N

Compound name

(1-methylindol-7-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	133.5
[M+Na]+	198.06968	143.6
[M-H]-	174.07318	135.1
[M+NH4]+	193.11428	154.4
[M+K]+	214.04362	140.4
[M+H-H2O]+	158.07772	128.1
[M+HCOO]-	220.07866	155.1
[M+CH3COO]-	234.09431	175.5
[M+Na-2H]-	196.05513	139.5
[M]+	175.07991	134.6
[M]-	175.08101	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe