CID 22312334

2031259-11-5

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CN1CC2=CC=CC=C2C(C1=O)N

InChI

InChI=1S/C10H12N2O/c1-12-6-7-4-2-3-5-8(7)9(11)10(12)13/h2-5,9H,6,11H2,1H3

InChIKey

YATNLYZMTPNWHI-UHFFFAOYSA-N

Compound name

4-amino-2-methyl-1,4-dihydroisoquinolin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 176.09496 Da
Monoisotopic Mass: 0.1
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]+	177.10224	136.5
[M+Na]+	199.08418	149.4
[M+NH4]+	194.12878	145.5
[M+K]+	215.05812	142.8
[M-H]-	175.08768	139.4
[M+Na-2H]-	197.06963	142.4
[M]+	176.09441	139.0
[M]-	176.09551	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe