CID 41163

Indole, 3-methyl-2-(piperidinyl)-

Structural Information

Molecular Formula

C₁₄H₁₈N₂

SMILES

CC1=C(NC2=CC=CC=C12)N3CCCCC3

InChI

InChI=1S/C14H18N2/c1-11-12-7-3-4-8-13(12)15-14(11)16-9-5-2-6-10-16/h3-4,7-8,15H,2,5-6,9-10H2,1H3

InChIKey

ISVAOKODISJOPR-UHFFFAOYSA-N

Compound name

3-methyl-2-piperidin-1-yl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 214.147 Da
Monoisotopic Mass: 3.7
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]+	215.154276	149.0
[M+Na]+	237.136218	156.5
[M-H]-	213.139724	152.3
[M+NH4]+	232.180823	167.1
[M+K]+	253.110158	151.1
[M+H-H2O]+	197.144260	140.8
[M+HCOO]-	259.145201	167.0
[M+CH3COO]-	273.160851	160.6
[M+Na-2H]-	235.121666	153.3
[M]+	214.14645142	144.7
[M]-	214.14754858	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe