CID 218296

40431-54-7

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

CN1CCC2C(C1)C3=CC=CC=C3N2

InChI

InChI=1S/C12H16N2/c1-14-7-6-12-10(8-14)9-4-2-3-5-11(9)13-12/h2-5,10,12-13H,6-8H2,1H3

InChIKey

KDOLICPJGKZRKU-UHFFFAOYSA-N

Compound name

2-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 188.13135 Da
Monoisotopic Mass: 2.0
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]+	189.13863	142.8
[M+Na]+	211.12057	155.2
[M+NH4]+	206.16517	152.8
[M+K]+	227.09451	149.4
[M-H]-	187.12407	144.9
[M+Na-2H]-	209.10602	147.1
[M]+	188.13080	145.1
[M]-	188.13190	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe