CID 151499

Edmon

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CCN1C=CC(=O)C2=C1N=C(C=C2)C

InChI

InChI=1S/C11H12N2O/c1-3-13-7-6-10(14)9-5-4-8(2)12-11(9)13/h4-7H,3H2,1-2H3

InChIKey

FGFJOULNUAEAAQ-UHFFFAOYSA-N

Compound name

1-ethyl-7-methyl-1,8-naphthyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 64
Patents: 188.09496 Da
Monoisotopic Mass: 1.1
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]+	189.102236	138.9
[M+Na]+	211.084178	150.1
[M-H]-	187.087684	141.5
[M+NH4]+	206.128783	157.7
[M+K]+	227.058118	146.4
[M+H-H2O]+	171.092220	131.5
[M+HCOO]-	233.093161	160.4
[M+CH3COO]-	247.108811	184.8
[M+Na-2H]-	209.069626	147.2
[M]+	188.09441142	141.2
[M]-	188.09550858	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe