CID 23298373

1-methyl-1h-pyrrolo[2,3-c]pyridine

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

CN1C=CC2=C1C=NC=C2

InChI

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

InChIKey

GGPMDNQTEJJLMQ-UHFFFAOYSA-N

Compound name

1-methylpyrrolo[2,3-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 258
Patents: 132.06874 Da
Monoisotopic Mass: 0.9
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]+	133.07602	122.7
[M+Na]+	155.05796	134.1
[M-H]-	131.06146	125.4
[M+NH4]+	150.10256	145.3
[M+K]+	171.03190	131.4
[M+H-H2O]+	115.06600	116.1
[M+HCOO]-	177.06694	147.2
[M+CH3COO]-	191.08259	138.0
[M+Na-2H]-	153.04341	132.4
[M]+	132.06819	124.7
[M]-	132.06929	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe