CID 15366337

3-ethyl-1h-indol-5-ol

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CCC1=CNC2=C1C=C(C=C2)O

InChI

InChI=1S/C10H11NO/c1-2-7-6-11-10-4-3-8(12)5-9(7)10/h3-6,11-12H,2H2,1H3

InChIKey

JYVGHERHVBFYJB-UHFFFAOYSA-N

Compound name

3-ethyl-1H-indol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 161.08406 Da
Monoisotopic Mass: 1.7
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	131.7
[M+Na]+	184.073278	142.3
[M-H]-	160.076784	133.2
[M+NH4]+	179.117883	153.4
[M+K]+	200.047218	137.8
[M+H-H2O]+	144.081320	126.4
[M+HCOO]-	206.082261	154.1
[M+CH3COO]-	220.097911	145.8
[M+Na-2H]-	182.058726	138.8
[M]+	161.08351142	132.1
[M]-	161.08460858	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe