CID 37796

Indole, 3-(2-(methylamino)ethyl)-1-methyl-

Structural Information

Molecular Formula
C12H16N2
SMILES
CNCCC1=CN(C2=CC=CC=C21)C
InChI
InChI=1S/C12H16N2/c1-13-8-7-10-9-14(2)12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKey
XUCUSHRCIKFRCK-UHFFFAOYSA-N
Compound name
N-methyl-2-(1-methylindol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

36
Patents

188.13135 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 140.6
[M+Na]+ 211.12057 150.3
[M-H]- 187.12407 144.4
[M+NH4]+ 206.16517 162.3
[M+K]+ 227.09451 146.6
[M+H-H2O]+ 171.12861 134.0
[M+HCOO]- 233.12955 166.1
[M+CH3COO]- 247.14520 187.2
[M+Na-2H]- 209.10602 147.9
[M]+ 188.13080 143.2
[M]- 188.13190 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe