CID 58244

Brn 0196942

Structural Information

Molecular Formula

C₁₆H₂₂N₂

SMILES

CCC1CCN(CC1)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C16H22N2/c1-2-13-7-9-18(10-8-13)12-14-11-17-16-6-4-3-5-15(14)16/h3-6,11,13,17H,2,7-10,12H2,1H3

InChIKey

JZCGJWATOJNJGP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 242.1783 Da
Monoisotopic Mass: 3.6
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]+	243.18558	158.7
[M+Na]+	265.16752	172.2
[M+NH4]+	260.21212	167.9
[M+K]+	281.14146	165.3
[M-H]-	241.17102	162.5
[M+Na-2H]-	263.15297	165.6
[M]+	242.17775	161.7
[M]-	242.17885	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe