CID 14090755

795310-69-9

Structural Information

Molecular Formula

C₁₃H₁₆N₂

SMILES

C1CNCCC1N2C=CC3=CC=CC=C32

InChI

InChI=1S/C13H16N2/c1-2-4-13-11(3-1)7-10-15(13)12-5-8-14-9-6-12/h1-4,7,10,12,14H,5-6,8-9H2

InChIKey

RQEDXUKWSYJDPG-UHFFFAOYSA-N

Compound name

1-piperidin-4-ylindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 200.13135 Da
Monoisotopic Mass: 2.7
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]+	201.13863	144.0
[M+Na]+	223.12057	151.0
[M-H]-	199.12407	147.1
[M+NH4]+	218.16517	162.3
[M+K]+	239.09451	145.8
[M+H-H2O]+	183.12861	135.7
[M+HCOO]-	245.12955	162.4
[M+CH3COO]-	259.14520	155.7
[M+Na-2H]-	221.10602	149.6
[M]+	200.13080	139.0
[M]-	200.13190	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe