CID 49761050

Decahydro-1,6-naphthyridin-2-one hydrochloride

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

C1CC(=O)NC2C1CNCC2

InChI

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

InChIKey

HUVZHPLQURPHRB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 154.11061 Da
Monoisotopic Mass: -0.4
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]+	155.117886	135.0
[M+Na]+	177.099828	139.4
[M-H]-	153.103334	132.6
[M+NH4]+	172.144433	152.5
[M+K]+	193.073768	135.9
[M+H-H2O]+	137.107870	128.1
[M+HCOO]-	199.108811	147.2
[M+CH3COO]-	213.124461	145.0
[M+Na-2H]-	175.085276	140.1
[M]+	154.11006142	124.5
[M]-	154.11115858	124.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe