CID 12596583

76162-60-2

Structural Information

Molecular Formula

C₁₂H₁₀N₂

SMILES

CC1=CC2=C(NC3=CC=CC=C32)N=C1

InChI

InChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)13-7-8/h2-7H,1H3,(H,13,14)

InChIKey

KZCHBHJWVHWOCE-UHFFFAOYSA-N

Compound name

3-methyl-9H-pyrido[2,3-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 182.0844 Da
Monoisotopic Mass: 3.2
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]+	183.09168	137.0
[M+Na]+	205.07362	153.1
[M+NH4]+	200.11822	147.2
[M+K]+	221.04756	146.5
[M-H]-	181.07712	139.9
[M+Na-2H]-	203.05907	145.1
[M]+	182.08385	140.3
[M]-	182.08495	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe