CID 130067357

1824608-59-4

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

COC(=O)C1=CC2=C(NCCC2)N=C1

InChI

InChI=1S/C10H12N2O2/c1-14-10(13)8-5-7-3-2-4-11-9(7)12-6-8/h5-6H,2-4H2,1H3,(H,11,12)

InChIKey

LIWLRLRHBZIXGA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 192.08987 Da
Monoisotopic Mass: 1.4
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]+	193.09715	141.1
[M+Na]+	215.07909	147.9
[M-H]-	191.08259	141.0
[M+NH4]+	210.12369	158.0
[M+K]+	231.05303	145.1
[M+H-H2O]+	175.08713	133.6
[M+HCOO]-	237.08807	157.8
[M+CH3COO]-	251.10372	179.8
[M+Na-2H]-	213.06454	147.7
[M]+	192.08932	138.2
[M]-	192.09042	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe