CID 121896

2-methyltryptoline

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

CN1CCC2=C(C1)NC3=CC=CC=C23

InChI

InChI=1S/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H3

InChIKey

JOFKCNJIUXPJAC-UHFFFAOYSA-N

Compound name

2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 38
References: 270
Patents: 186.11569 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]+	187.12297	139.8
[M+Na]+	209.10491	149.3
[M-H]-	185.10841	141.4
[M+NH4]+	204.14951	160.5
[M+K]+	225.07885	144.1
[M+H-H2O]+	169.11295	132.7
[M+HCOO]-	231.11389	158.3
[M+CH3COO]-	245.12954	152.5
[M+Na-2H]-	207.09036	146.8
[M]+	186.11514	137.6
[M]-	186.11624	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe