CID 23071582

643087-30-3

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CN1CCC2=C(C1=O)C=C(C=C2)N

InChI

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

InChIKey

LRIVVMZEHDTDGA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 176.09496 Da
Monoisotopic Mass: 0.7
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