CID 119054454

Decahydro-1,7-naphthyridin-8-one

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

C1CC2CCNC(=O)C2NC1

InChI

InChI=1S/C8H14N2O/c11-8-7-6(3-5-10-8)2-1-4-9-7/h6-7,9H,1-5H2,(H,10,11)

InChIKey

BYGHYWQSVZRMPD-UHFFFAOYSA-N

Compound name

2,3,4,4a,5,6,7,8a-octahydro-1H-1,7-naphthyridin-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 154.11061 Da
Monoisotopic Mass: 0.1
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]+	155.11789	135.0
[M+Na]+	177.09983	144.9
[M+NH4]+	172.14443	143.2
[M+K]+	193.07377	139.1
[M-H]-	153.10333	135.2
[M+Na-2H]-	175.08528	138.0
[M]+	154.11006	136.1
[M]-	154.11116	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe