CID 12227526

3-(methylamino)-1,2-dihydroisoquinolin-1-one

Structural Information

Molecular Formula
C10H10N2O
SMILES
CNC1=CC2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C10H10N2O/c1-11-9-6-7-4-2-3-5-8(7)10(13)12-9/h2-6H,1H3,(H2,11,12,13)
InChIKey
CSWIHFSPKUCLPC-UHFFFAOYSA-N
Compound name
3-(methylamino)-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.07932 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 134.4
[M+Na]+ 197.06854 148.5
[M+NH4]+ 192.11314 143.3
[M+K]+ 213.04248 141.3
[M-H]- 173.07204 137.2
[M+Na-2H]- 195.05399 142.1
[M]+ 174.07877 137.1
[M]- 174.07987 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.