CID 13734996

121459-15-2

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1=CC=C2C(=C1)C=CN2CCO

InChI

InChI=1S/C10H11NO/c12-8-7-11-6-5-9-3-1-2-4-10(9)11/h1-6,12H,7-8H2

InChIKey

MWUVMGYIPOWLAH-UHFFFAOYSA-N

Compound name

2-indol-1-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 227
Patents: 161.08406 Da
Monoisotopic Mass: 2.0
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]+	162.091336	131.3
[M+Na]+	184.073278	141.3
[M-H]-	160.076784	133.8
[M+NH4]+	179.117883	153.4
[M+K]+	200.047218	137.9
[M+H-H2O]+	144.081320	125.5
[M+HCOO]-	206.082261	155.2
[M+CH3COO]-	220.097911	145.7
[M+Na-2H]-	182.058726	139.6
[M]+	161.08351142	133.1
[M]-	161.08460858	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe