CID 51575

72395-46-1

Structural Information

Molecular Formula

C₁₄H₂₀N₂

SMILES

CCN(CC)CCN1C=CC2=CC=CC=C21

InChI

InChI=1S/C14H20N2/c1-3-15(4-2)11-12-16-10-9-13-7-5-6-8-14(13)16/h5-10H,3-4,11-12H2,1-2H3

InChIKey

WIQQTANXCCVPOY-UHFFFAOYSA-N

Compound name

N,N-diethyl-2-indol-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10
Patents: 216.16264 Da
Monoisotopic Mass: 3.4
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]+	217.169916	150.7
[M+Na]+	239.151858	158.6
[M-H]-	215.155364	155.2
[M+NH4]+	234.196463	171.5
[M+K]+	255.125798	155.7
[M+H-H2O]+	199.159900	143.1
[M+HCOO]-	261.160841	175.9
[M+CH3COO]-	275.176491	195.6
[M+Na-2H]-	237.137306	156.7
[M]+	216.16209142	154.8
[M]-	216.16318858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe