CID 21071189

1211505-91-7

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1CNCC2=C1NC(=O)C=C2

InChI

InChI=1S/C8H10N2O/c11-8-2-1-6-5-9-4-3-7(6)10-8/h1-2,9H,3-5H2,(H,10,11)

InChIKey

JCJJNHQIUYSATB-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 150.07932 Da
Monoisotopic Mass: -0.8
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]+	151.08660	130.0
[M+Na]+	173.06854	142.8
[M+NH4]+	168.11314	138.4
[M+K]+	189.04248	136.4
[M-H]-	149.07204	130.8
[M+Na-2H]-	171.05399	135.8
[M]+	150.07877	131.9
[M]-	150.07987	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe