CID 2759867

1-methyl-1h-indole-5-boronic acid

Structural Information

Molecular Formula

C₉H₁₀BNO₂

SMILES

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

InChI

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

InChIKey

SYWDZJWBRYIJJB-UHFFFAOYSA-N

Compound name

(1-methylindol-5-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 660
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]+	176.087736	133.5
[M+Na]+	198.069678	143.6
[M-H]-	174.073184	135.1
[M+NH4]+	193.114283	154.4
[M+K]+	214.043618	140.4
[M+H-H2O]+	158.077720	128.1
[M+HCOO]-	220.078661	155.1
[M+CH3COO]-	234.094311	175.5
[M+Na-2H]-	196.055126	139.5
[M]+	175.07991142	134.6
[M]-	175.08100858	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe