CID 122956

32774-29-1

Structural Information

Molecular Formula

C₁₀H₁₀BrNO

SMILES

C1=CC2=C(C=C1Br)C(=CN2)CCO

InChI

InChI=1S/C10H10BrNO/c11-8-1-2-10-9(5-8)7(3-4-13)6-12-10/h1-2,5-6,12-13H,3-4H2

InChIKey

ZENXDUDCTZLSRP-UHFFFAOYSA-N

Compound name

2-(5-bromo-1H-indol-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 238.99458 Da
Monoisotopic Mass: 1.5
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]+	240.001856	145.0
[M+Na]+	261.983798	158.3
[M-H]-	237.987304	149.1
[M+NH4]+	257.028403	167.0
[M+K]+	277.957738	145.6
[M+H-H2O]+	221.991840	145.6
[M+HCOO]-	283.992781	164.9
[M+CH3COO]-	298.008431	160.0
[M+Na-2H]-	259.969246	152.7
[M]+	238.99403142	163.9
[M]-	238.99512858	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe