CID 3963665

2-(5-bromo-2-methyl-1h-indol-3-yl)acetic acid

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₂

SMILES

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

InChI

InChI=1S/C11H10BrNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)

InChIKey

GYMIIVHLZZZWAD-UHFFFAOYSA-N

Compound name

2-(5-bromo-2-methyl-1H-indol-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.9895 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]+	267.996776	151.4
[M+Na]+	289.978718	164.8
[M-H]-	265.982224	155.7
[M+NH4]+	285.023323	172.3
[M+K]+	305.952658	152.3
[M+H-H2O]+	249.986760	151.8
[M+HCOO]-	311.987701	170.3
[M+CH3COO]-	326.003351	189.6
[M+Na-2H]-	287.964166	156.7
[M]+	266.98895142	170.9
[M]-	266.99004858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe