CID 53164514

1340902-81-9

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

CCN1C=CC2=C1C(=O)NC=C2

InChI

InChI=1S/C9H10N2O/c1-2-11-6-4-7-3-5-10-9(12)8(7)11/h3-6H,2H2,1H3,(H,10,12)

InChIKey

SETRUJSJLVLALL-UHFFFAOYSA-N

Compound name

1-ethyl-6H-pyrrolo[2,3-c]pyridin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 162.07932 Da
Monoisotopic Mass: 0.7
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]+	163.08660	130.7
[M+Na]+	185.06854	142.3
[M-H]-	161.07204	132.3
[M+NH4]+	180.11314	151.6
[M+K]+	201.04248	138.3
[M+H-H2O]+	145.07658	124.3
[M+HCOO]-	207.07752	153.7
[M+CH3COO]-	221.09317	145.1
[M+Na-2H]-	183.05399	138.5
[M]+	162.07877	132.3
[M]-	162.07987	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe