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: 49
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]+	216.14952	148.9
[M+Na]+	238.13146	155.4
[M-H]-	214.13496	149.1
[M+NH4]+	233.17606	164.4
[M+K]+	254.10540	149.2
[M+H-H2O]+	198.13950	139.9
[M+HCOO]-	260.14044	164.3
[M+CH3COO]-	274.15609	159.0
[M+Na-2H]-	236.11691	154.0
[M]+	215.14169	142.6
[M]-	215.14279	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe