CID 28278531

1353496-62-4

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CC1=CC2=C(C=CC(=C2)CN)NC1=O

InChI

InChI=1S/C11H12N2O/c1-7-4-9-5-8(6-12)2-3-10(9)13-11(7)14/h2-5H,6,12H2,1H3,(H,13,14)

InChIKey

ACWUXEQESIQIJB-UHFFFAOYSA-N

Compound name

6-(aminomethyl)-3-methyl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 188.09496 Da
Monoisotopic Mass: 0.6
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]+	189.10224	139.0
[M+Na]+	211.08418	148.9
[M-H]-	187.08768	141.2
[M+NH4]+	206.12878	157.9
[M+K]+	227.05812	144.2
[M+H-H2O]+	171.09222	132.7
[M+HCOO]-	233.09316	160.8
[M+CH3COO]-	247.10881	183.8
[M+Na-2H]-	209.06963	146.2
[M]+	188.09441	137.3
[M]-	188.09551	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe