CID 131559281

2092501-54-5

Structural Information

Molecular Formula

C₁₁H₁₁BrN₂O₂

SMILES

CCOC(=O)C1=C(NC2=C1C=CC(=C2)Br)N

InChI

InChI=1S/C11H11BrN2O2/c1-2-16-11(15)9-7-4-3-6(12)5-8(7)14-10(9)13/h3-5,14H,2,13H2,1H3

InChIKey

CVCLOOCQYZSIMR-UHFFFAOYSA-N

Compound name

ethyl 2-amino-6-bromo-1H-indole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 282.0004 Da
Monoisotopic Mass: 3.2
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]+	283.00768	154.9
[M+Na]+	304.98962	167.8
[M-H]-	280.99312	160.0
[M+NH4]+	300.03422	175.3
[M+K]+	320.96356	155.5
[M+H-H2O]+	264.99766	154.3
[M+HCOO]-	326.99860	175.5
[M+CH3COO]-	341.01425	195.4
[M+Na-2H]-	302.97507	160.1
[M]+	281.99985	174.4
[M]-	282.00095	174.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe