CID 3067928

82439-10-9

Structural Information

Molecular Formula

C₁₄H₁₈N₂

SMILES

CN1C=CC2=C(C=CC=C21)C3CCCNC3

InChI

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

InChIKey

WHZJBEMBTDOZNO-UHFFFAOYSA-N

Compound name

1-methyl-4-piperidin-3-ylindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 214.147 Da
Monoisotopic Mass: 2.1
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]+	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

No literature data available for this compound.

Patent stripe

patents stripe