CID 101953727

Methyl 5-bromo-2-methyl-1h-indole-3-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₂

SMILES

CC1=C(C2=C(N1)C=CC(=C2)Br)C(=O)OC

InChI

InChI=1S/C11H10BrNO2/c1-6-10(11(14)15-2)8-5-7(12)3-4-9(8)13-6/h3-5,13H,1-2H3

InChIKey

IMOLADHPXONWFR-UHFFFAOYSA-N

Compound name

methyl 5-bromo-2-methyl-1H-indole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.9895 Da
Monoisotopic Mass: 3.0
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]+	267.996776	150.7
[M+Na]+	289.978718	164.7
[M-H]-	265.982224	156.4
[M+NH4]+	285.023323	172.4
[M+K]+	305.952658	153.1
[M+H-H2O]+	249.986760	151.0
[M+HCOO]-	311.987701	171.1
[M+CH3COO]-	326.003351	191.3
[M+Na-2H]-	287.964166	156.5
[M]+	266.98895142	171.9
[M]-	266.99004858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.