CID 66778545

2126162-88-5

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

COC(=O)C1=NC2=C(CCNC2)C=C1

InChI

InChI=1S/C10H12N2O2/c1-14-10(13)8-3-2-7-4-5-11-6-9(7)12-8/h2-3,11H,4-6H2,1H3

InChIKey

MDHWILCUHZPVHE-UHFFFAOYSA-N

Compound name

methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 192.08987 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]+	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