CID 583068

N-methyl-7-azaindole

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

CN1C=CC2=C1N=CC=C2

InChI

InChI=1S/C8H8N2/c1-10-6-4-7-3-2-5-9-8(7)10/h2-6H,1H3

InChIKey

ZVOCBNCKNQJAFL-UHFFFAOYSA-N

Compound name

1-methylpyrrolo[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 914
Patents: 132.06874 Da
Monoisotopic Mass: 1.3
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]+	133.076016	122.7
[M+Na]+	155.057958	134.1
[M-H]-	131.061464	125.4
[M+NH4]+	150.102563	145.3
[M+K]+	171.031898	131.4
[M+H-H2O]+	115.066000	116.1
[M+HCOO]-	177.066941	147.2
[M+CH3COO]-	191.082591	138.0
[M+Na-2H]-	153.043406	132.4
[M]+	132.06819142	124.7
[M]-	132.06928858	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe