CID 15124

1476-33-1

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

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

InChI

InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-7-10(15)3-4-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3

InChIKey

WUQMRWPLIMXBDX-UHFFFAOYSA-N

Compound name

3-[2-(dimethylamino)ethyl]-1H-indol-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 204.12627 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]+	205.13355	144.9
[M+Na]+	227.11549	153.6
[M-H]-	203.11899	147.4
[M+NH4]+	222.16009	165.0
[M+K]+	243.08943	150.1
[M+H-H2O]+	187.12353	138.5
[M+HCOO]-	249.12447	168.0
[M+CH3COO]-	263.14012	187.5
[M+Na-2H]-	225.10094	150.5
[M]+	204.12572	146.4
[M]-	204.12682	146.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.