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 133.4
[M+Na]+ 197.06854 142.8
[M-H]- 173.07204 135.9
[M+NH4]+ 192.11314 152.8
[M+K]+ 213.04248 138.6
[M+H-H2O]+ 157.07658 127.0
[M+HCOO]- 219.07752 156.3
[M+CH3COO]- 233.09317 180.2
[M+Na-2H]- 195.05399 143.0
[M]+ 174.07877 132.0
[M]- 174.07987 132.0
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.