CID 112696117

6-bromo-1-(2-methoxyethyl)-1h-indole

Structural Information

Molecular Formula

C₁₁H₁₂BrNO

SMILES

COCCN1C=CC2=C1C=C(C=C2)Br

InChI

InChI=1S/C11H12BrNO/c1-14-7-6-13-5-4-9-2-3-10(12)8-11(9)13/h2-5,8H,6-7H2,1H3

InChIKey

OLHORQQSBCVCLR-UHFFFAOYSA-N

Compound name

6-bromo-1-(2-methoxyethyl)indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 253.01022 Da
Monoisotopic Mass: 2.5
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]+	254.01750	150.3
[M+Na]+	275.99944	154.9
[M+NH4]+	271.04404	155.8
[M+K]+	291.97338	154.8
[M-H]-	252.00294	151.1
[M+Na-2H]-	273.98489	153.8
[M]+	253.00967	150.1
[M]-	253.01077	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe