CID 33561

2-me-det

Structural Information

Molecular Formula

C₁₅H₂₂N₂

SMILES

CCN(CC)CCC1=C(NC2=CC=CC=C21)C

InChI

InChI=1S/C15H22N2/c1-4-17(5-2)11-10-13-12(3)16-15-9-7-6-8-14(13)15/h6-9,16H,4-5,10-11H2,1-3H3

InChIKey

VVUATPWGKMGHGM-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-(2-methyl-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 230.1783 Da
Monoisotopic Mass: 3.5
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]+	231.18558	155.5
[M+Na]+	253.16752	163.5
[M-H]-	229.17102	158.9
[M+NH4]+	248.21212	175.4
[M+K]+	269.14146	159.5
[M+H-H2O]+	213.17556	148.4
[M+HCOO]-	275.17650	178.9
[M+CH3COO]-	289.19215	197.1
[M+Na-2H]-	251.15297	159.9
[M]+	230.17775	158.5
[M]-	230.17885	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe