CID 15290332

3-bromo-1-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₈BrNO₂

SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)Br

InChI

InChI=1S/C10H8BrNO2/c1-12-7-5-3-2-4-6(7)8(11)9(12)10(13)14/h2-5H,1H3,(H,13,14)

InChIKey

IJYYDLASNYBAOR-UHFFFAOYSA-N

Compound name

3-bromo-1-methylindole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 252.97385 Da
Monoisotopic Mass: 2.6
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]+	253.98113	147.4
[M+Na]+	275.96307	151.3
[M+NH4]+	271.00767	151.9
[M+K]+	291.93701	153.0
[M-H]-	251.96657	146.9
[M+Na-2H]-	273.94852	149.6
[M]+	252.97330	146.5
[M]-	252.97440	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe