CID 5281404

Harman

Structural Information

Molecular Formula

C₁₂H₁₀N₂

SMILES

CC1=NC=CC2=C1NC3=CC=CC=C23

InChI

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

InChIKey

PSFDQSOCUJVVGF-UHFFFAOYSA-N

Compound name

1-methyl-9H-pyrido[3,4-b]indole

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 587
References: 7862
Patents: 182.0844 Da
Monoisotopic Mass: 3.6
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]+	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