CID 198231

41340-36-7

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

CCC1=C2C(=CC=C1)C(=CN2)CCO

InChI

InChI=1S/C12H15NO/c1-2-9-4-3-5-11-10(6-7-14)8-13-12(9)11/h3-5,8,13-14H,2,6-7H2,1H3

InChIKey

UVSDNCAZVSQJQA-UHFFFAOYSA-N

Compound name

2-(7-ethyl-1H-indol-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 80
Patents: 189.11537 Da
Monoisotopic Mass: 2.4
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]+	190.122646	141.1
[M+Na]+	212.104588	150.7
[M-H]-	188.108094	142.3
[M+NH4]+	207.149193	161.6
[M+K]+	228.078528	145.8
[M+H-H2O]+	172.112630	135.4
[M+HCOO]-	234.113571	162.8
[M+CH3COO]-	248.129221	179.2
[M+Na-2H]-	210.090036	147.0
[M]+	189.11482142	142.1
[M]-	189.11591858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe