CID 1501978

65347-61-7

Structural Information

Molecular Formula

C₁₄H₁₈N₂

SMILES

CC1=C(C2=CC=CC=C2N1)C3CCNCC3

InChI

InChI=1S/C14H18N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-5,11,15-16H,6-9H2,1H3

InChIKey

AQFCUPJDFCEYNM-UHFFFAOYSA-N

Compound name

2-methyl-3-piperidin-4-yl-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 214.147 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]+	215.15428	149.2
[M+Na]+	237.13622	156.3
[M-H]-	213.13972	151.2
[M+NH4]+	232.18082	166.6
[M+K]+	253.11016	150.0
[M+H-H2O]+	197.14426	141.4
[M+HCOO]-	259.14520	165.7
[M+CH3COO]-	273.16085	160.2
[M+Na-2H]-	235.12167	153.2
[M]+	214.14645	143.2
[M]-	214.14755	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe