CID 13734431

104995-13-3

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

COC1=C2C(=C(C=C1)N)CCC(=O)N2

InChI

InChI=1S/C10H12N2O2/c1-14-8-4-3-7(11)6-2-5-9(13)12-10(6)8/h3-4H,2,5,11H2,1H3,(H,12,13)

InChIKey

JIPDODZZPMQXNU-UHFFFAOYSA-N

Compound name

5-amino-8-methoxy-3,4-dihydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.08987 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]+	193.097146	139.9
[M+Na]+	215.079088	148.0
[M-H]-	191.082594	141.4
[M+NH4]+	210.123693	158.3
[M+K]+	231.053028	144.5
[M+H-H2O]+	175.087130	133.5
[M+HCOO]-	237.088071	159.3
[M+CH3COO]-	251.103721	183.6
[M+Na-2H]-	213.064536	145.7
[M]+	192.08932142	136.4
[M]-	192.09041858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.