CID 53350387

1207175-08-3

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

CCOC(=O)C1=CC2=C(CNCC2)N=C1

InChI

InChI=1S/C11H14N2O2/c1-2-15-11(14)9-5-8-3-4-12-7-10(8)13-6-9/h5-6,12H,2-4,7H2,1H3

InChIKey

ZGZPRTMUGJTCMS-UHFFFAOYSA-N

Compound name

ethyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 206.10553 Da
Monoisotopic Mass: 0.5
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]+	207.11281	146.0
[M+Na]+	229.09475	157.8
[M+NH4]+	224.13935	153.5
[M+K]+	245.06869	151.8
[M-H]-	205.09825	146.5
[M+Na-2H]-	227.08020	150.8
[M]+	206.10498	147.5
[M]-	206.10608	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe