CID 9222

7-azaindole

Structural Information

Molecular Formula

C₇H₆N₂

SMILES

C1=CC2=C(NC=C2)N=C1

InChI

InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)

InChIKey

MVXVYAKCVDQRLW-UHFFFAOYSA-N

Compound name

1H-pyrrolo[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 224
References: 21029
Patents: 118.0531 Da
Monoisotopic Mass: 1.8
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]+	119.06038	118.6
[M+Na]+	141.04232	129.0
[M-H]-	117.04582	119.7
[M+NH4]+	136.08692	140.7
[M+K]+	157.01626	125.7
[M+H-H2O]+	101.05036	112.2
[M+HCOO]-	163.05130	141.9
[M+CH3COO]-	177.06695	133.3
[M+Na-2H]-	139.02777	129.1
[M]+	118.05255	118.0
[M]-	118.05365	118.0

Literature stripe

literature stripe

Patent stripe

patents stripe