CID 30438

21000-95-3

Structural Information

Molecular Formula

C₁₅H₂₀N₂

SMILES

CC1CCN(CC1)CC2=CNC3=CC=CC=C32

InChI

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

InChIKey

DGCGMYNLCDVYMB-UHFFFAOYSA-N

Compound name

3-[(4-methylpiperidin-1-yl)methyl]-1H-indole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 6
Patents: 228.16264 Da
Monoisotopic Mass: 3.1
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]+	229.16992	153.5
[M+Na]+	251.15186	160.5
[M-H]-	227.15536	156.6
[M+NH4]+	246.19646	171.0
[M+K]+	267.12580	154.9
[M+H-H2O]+	211.15990	145.1
[M+HCOO]-	273.16084	171.2
[M+CH3COO]-	287.17649	164.7
[M+Na-2H]-	249.13731	157.3
[M]+	228.16209	149.6
[M]-	228.16319	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe