CID 17880880

1185294-70-5

Structural Information

Molecular Formula

C₁₃H₁₇N₃

SMILES

C1CN(CCN1)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C13H17N3/c1-2-4-13-12(3-1)11(9-15-13)10-16-7-5-14-6-8-16/h1-4,9,14-15H,5-8,10H2

InChIKey

ZTNAIHGOFCMOPJ-UHFFFAOYSA-N

Compound name

3-(piperazin-1-ylmethyl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 54
Patents: 215.14224 Da
Monoisotopic Mass: 1.1
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]+	216.149516	148.9
[M+Na]+	238.131458	155.4
[M-H]-	214.134964	149.1
[M+NH4]+	233.176063	164.4
[M+K]+	254.105398	149.2
[M+H-H2O]+	198.139500	139.9
[M+HCOO]-	260.140441	164.3
[M+CH3COO]-	274.156091	159.0
[M+Na-2H]-	236.116906	154.0
[M]+	215.14169142	142.6
[M]-	215.14278858	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe