CID 594939

52335-75-8

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

CN(C)CC1=CNC2=C1C(=CC=C2)OC

InChI

InChI=1S/C12H16N2O/c1-14(2)8-9-7-13-10-5-4-6-11(15-3)12(9)10/h4-7,13H,8H2,1-3H3

InChIKey

UTDGDGFOENJMAA-UHFFFAOYSA-N

Compound name

1-(4-methoxy-1H-indol-3-yl)-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 204.12627 Da
Monoisotopic Mass: 1.9
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	144.5
[M+Na]+	227.11549	157.1
[M+NH4]+	222.16009	153.2
[M+K]+	243.08943	152.3
[M-H]-	203.11899	147.0
[M+Na-2H]-	225.10094	150.9
[M]+	204.12572	146.9
[M]-	204.12682	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe