CID 181513

2-methyl-3-n,n-dimethylaminomethylindole

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

CC1=C(C2=CC=CC=C2N1)CN(C)C

InChI

InChI=1S/C12H16N2/c1-9-11(8-14(2)3)10-6-4-5-7-12(10)13-9/h4-7,13H,8H2,1-3H3

InChIKey

AJNMXMZCRHTBEH-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1-(2-methyl-1H-indol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 23
Patents: 188.13135 Da
Monoisotopic Mass: 2.3
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]+	189.13863	141.2
[M+Na]+	211.12057	154.3
[M+NH4]+	206.16517	150.6
[M+K]+	227.09451	148.9
[M-H]-	187.12407	144.2
[M+Na-2H]-	209.10602	148.1
[M]+	188.13080	143.9
[M]-	188.13190	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe