CID 19088

3558-36-9

Structural Information

Molecular Formula

C₁₅H₂₀N₂

SMILES

CN1C=C(C2=CC=CC=C21)CC3CCNCC3

InChI

InChI=1S/C15H20N2/c1-17-11-13(10-12-6-8-16-9-7-12)14-4-2-3-5-15(14)17/h2-5,11-12,16H,6-10H2,1H3

InChIKey

NFAFHNFCMDUKQG-UHFFFAOYSA-N

Compound name

1-methyl-3-(piperidin-4-ylmethyl)indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 228.16264 Da
Monoisotopic Mass: 2.6
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]+	229.169916	153.5
[M+Na]+	251.151858	160.5
[M-H]-	227.155364	156.6
[M+NH4]+	246.196463	171.0
[M+K]+	267.125798	154.9
[M+H-H2O]+	211.159900	145.1
[M+HCOO]-	273.160841	171.2
[M+CH3COO]-	287.176491	164.7
[M+Na-2H]-	249.137306	157.3
[M]+	228.16209142	149.6
[M]-	228.16318858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe