CID 12991240

321745-14-6

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1=CC(=CC2=C1C=CN2)CCO

InChI

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

InChIKey

QPRSAELFESXUJT-UHFFFAOYSA-N

Compound name

2-(1H-indol-6-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 161.08406 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]+	162.09134	131.8
[M+Na]+	184.07328	141.4
[M-H]-	160.07678	132.9
[M+NH4]+	179.11788	153.1
[M+K]+	200.04722	136.9
[M+H-H2O]+	144.08132	126.2
[M+HCOO]-	206.08226	154.1
[M+CH3COO]-	220.09791	145.5
[M+Na-2H]-	182.05873	139.5
[M]+	161.08351	131.7
[M]-	161.08461	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe