CID 52908351

1-methyl-1h,4h,5h,6h,7h-pyrrolo[2,3-c]pyridin-7-one

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CN1C=CC2=C1C(=O)NCC2

InChI

InChI=1S/C8H10N2O/c1-10-5-3-6-2-4-9-8(11)7(6)10/h3,5H,2,4H2,1H3,(H,9,11)

InChIKey

LMPBEJNRWDIXKS-UHFFFAOYSA-N

Compound name

1-methyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyridin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 150.07932 Da
Monoisotopic Mass: 0.3
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]+	151.08660	131.0
[M+Na]+	173.06854	142.7
[M+NH4]+	168.11314	139.5
[M+K]+	189.04248	138.6
[M-H]-	149.07204	131.5
[M+Na-2H]-	171.05399	135.3
[M]+	150.07877	132.5
[M]-	150.07987	132.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.